SCHEMBL13414012

SCHEMBL13414012

COc1ccc(-c2cc(Nc3ccc(Oc4ccnc(C#N)c4)cc3)nc(N)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.49
▸ MAPT P10636 5/20 0.48
▸ GAA P10253 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HPGD P15428 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ AGPAT2 O15120 3/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ SCN9A Q15858 2/20 0.42

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
SCHEMBL3146264 0.93 DYRK1A (0.43) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL3121109 0.92 SCN9A (0.45) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL13414023 0.92 SCN9A (0.44) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL3140989 0.91 AGPAT2 (0.45) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL3117071 0.91 MAPT (0.46) RAB9AMAPTGAAPOLBSMN1; SMN2
SCHEMBL3119522 0.90 ROCK1 (0.45) IKBKBAGPAT2KCNH2SCN9AROCK1
SCHEMBL13414016 0.90 AGPAT2 (0.42) KMT2AMEN1IKBKBAGPAT2KCNH2
SCHEMBL3117362 0.90 AGPAT2 (0.56) IKBKBAGPAT2KCNH2SCN9ASCN5A
SCHEMBL1644554 0.90 AGPAT2 (0.55) MAPTPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL13413991 0.90 IKBKB (0.43) RAB9AMAPTGAAPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 RAB9A 2850/4885MAPT 4585/4885GAA 1507/4885
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 RAB9A 3476/4885MAPT 4840/4885GAA 948/4885

“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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