SCHEMBL4236720

SCHEMBL4236720

N#Cc1cc(Oc2ccc(Nc3cc(-c4ccccc4)nc(N)n3)c(F)c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ALOX5AP P20292 2/20 0.44
▸ FEN1 P39748 2/20 0.44
▸ HRH4 Q9H3N8 6/20 0.42
▸ AGPAT2 O15120 1/20 0.41
▸ ROCK1 Q13464 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ROCK2 O75116 4/20 0.38

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
Hydrochloric Acid SCHEMBL3115786 0.99 HPGD (0.47) HPGDKMT2AMAPTTP53ALOX15
SCHEMBL12727988 0.89 MAPT (0.50) HPGDKMT2AMAPTTP53ALOX15
SCHEMBL1642874 0.88 HPGD (0.46) HPGDKMT2AMAPTTP53ALOX15
SCHEMBL13413865 0.86 KMT2A (0.49) HPGDKMT2AMAPTTP53ALOX15
SCHEMBL1644554 0.86 AGPAT2 (0.55) HPGDKMT2AMAPTTP53ALOX15
SCHEMBL13413866 0.85 HSD17B10 (0.48) HPGDKMT2AMAPTTP53ALOX15
SCHEMBL1643604 0.84 ROCK1 (0.59) HPGDKMT2AMAPTTP53ALOX15
SCHEMBL3137411 0.82 ALOX5AP (0.53) HPGDKMT2AMAPTTP53ALOX15
SCHEMBL3119522 0.80 ROCK1 (0.45) ALOX5APFEN1AGPAT2ROCK1ROCK2
SCHEMBL3112996 0.80 AGPAT2 (0.43) ALOX5APFEN1AGPAT2ROCK1ROCK2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7582645-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-01 — — US disclosed
US-7582645-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-01 — — US disclosed
US-7582645-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-01 — — 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
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

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

For each of this compound's patents that has machine-readable text (3 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 HPGD 219/4885KMT2A 688/4885MAPT 4585/4885
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 HPGD 388/4885KMT2A 254/4885MAPT 4840/4885
US-20110098301-A1 Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders DPYD, TYMP, TYMS HPGD 124/4885KMT2A 3084/4885MAPT 3425/4885

“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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