SCHEMBL1643206

SCHEMBL1643206

Nc1ccc(Oc2ccnc(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPT P10636 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ NLRP1 Q9C000 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ LOXL2 Q9Y4K0 2/20 0.45
▸ ALOX5AP P20292 2/20 0.44
▸ FEN1 P39748 2/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ LOX P28300 1/20 0.44
▸ MAOA P21397 2/20 0.41
▸ NPC1 O15118 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27894825 0.88 LOXL2 (0.50) CYP3A4LOXL2ALOX5APFEN1LOX
SCHEMBL24998938 0.83 ALOX5AP (0.42) MAPTCYP3A4LOXL2ALOX5APFEN1
SCHEMBL2145774 0.83 LOXL2 (0.50) LOXL2ALOX5APFEN1LOXMAOB
SCHEMBL5669483 0.83 BLM (0.48) CYP3A4TSHRLOXL2ALOX5APFEN1
SCHEMBL15832930 0.83 LOXL2 (0.61) CYP3A4LOXL2ALOX5APFEN1LOX
Hydrochloric Acid SCHEMBL15155146 0.82 LOXL2 (0.51) LOXL2ALOX5APFEN1LOXMAOB
SCHEMBL30132589 0.81 ALOX5AP (0.44) ALDH1A1MAPTLOXL2ALOX5APFEN1
SCHEMBL20554668 0.81 ALOX5AP (0.44) ALDH1A1MAPTLOXL2ALOX5APFEN1
SCHEMBL24998715 0.81 FGFR2 (0.47) ALDH1A1MAPTSMN1; SMN2CYP3A4LOXL2
SCHEMBL24999606 0.80 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 — — WO disclosed
US-20110098301-A1 Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders BAYER HEALTHCARE LLC (US) 2011-04-28 — — US disclosed
US-20110098301-A1 Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders BAYER HEALTHCARE LLC (US) 2011-04-28 — — US disclosed
US-20110098301-A1 Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders BAYER HEALTHCARE LLC (US) 2011-04-28 — — US disclosed
US-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 — — US disclosed
US-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 — — US disclosed
US-7678804-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER HEALTHCARE LLC (US) 2010-03-16 — — US disclosed
US-7678804-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER HEALTHCARE LLC (US) 2010-03-16 — — US disclosed
US-7652022-B2 N-(4-(4-(4-hydroxyphenylamino)-pyrimidin-6-yl)-oxyphenyl)-N'-(3-trifluoromethylphenyl)-urea; NOVARTIS AG (CH) 2010-01-26 — — US disclosed
US-7582645-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-01 — — US disclosed
EP-1858882-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2007-11-28 — — EP disclosed
US-20070117817-A1 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-24 — — US disclosed
US-20070117817-A1 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-24 — — US disclosed
WO-2006099231-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2006-09-21 — — WO disclosed
EP-1689722-A2 4-AMINOPYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-08-16 — — EP disclosed
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases FLOERSHEIMER ANDREAS 2006-06-15 — — US disclosed
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-15 — — US disclosed
WO-2005035507-A2 4-AMINOPYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-04-21 — — WO disclosed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 — — EP disclosed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS TYMP, DPYD, CCNA2 ALDH1A1 1122/4885MAPT 4585/4885SMN1; SMN2 3381/4885
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA ALDH1A1 3040/4885MAPT 1220/4885SMN1; SMN2 2710/4885
US-20070117817-A1 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis CCNA2, MALT1, TPD52L2 ALDH1A1 1614/4885MAPT 4840/4885SMN1; SMN2 4046/4885
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders TYMP, DPYD, CCNA2 ALDH1A1 1122/4885MAPT 4585/4885SMN1; SMN2 3381/4885
US-20110098301-A1 Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders DPYD, TYMP, TYMS ALDH1A1 1412/4885MAPT 3425/4885SMN1; SMN2 2048/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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