SCHEMBL1642908

SCHEMBL1642908

NCc1cc(Oc2ccc(-c3c(N)nc(N)nc3-c3ccccc3)cc2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
TNK2 Q07912 5/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
DHFR P00374 5/20 0.40
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
ADORA2A P29274 3/20 0.37
ADORA1 P30542 2/20 0.37
DPP4 P27487 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL4239244 0.91 SCN9A (0.41) SCN9ATNK2MEN1ALDH1A1LMNA
SCHEMBL1644360 0.90 DHFR (0.45) SCN9ATNK2MEN1ALDH1A1LMNA
SCHEMBL1643134 0.86 SCN9A (0.43) SCN9ATNK2MEN1ALDH1A1LMNA
SCHEMBL1643628 0.85 ADORA2A (0.39) SCN9ATNK2MEN1ALDH1A1LMNA
SCHEMBL1643667 0.84 TNK2 (0.44) SCN9ATNK2MEN1ALDH1A1LMNA
SCHEMBL1643965 0.84 ADORA2A (0.48) SCN9ATNK2MEN1ALDH1A1LMNA
SCHEMBL1644566 0.82 ADORA2A (0.39) TNK2DHFRHEXAHEXBADORA2A
SCHEMBL1643128 0.82 ADORA2A (0.43) DHFRHEXAHEXBADORA2AADORA1
SCHEMBL4239237 0.81 TNK2 (0.41) SCN9ATNK2MEN1ALDH1A1LMNA
SCHEMBL3123762 0.80 MEN1 (0.39) SCN9ATNK2MEN1ALDH1A1LMNA

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-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-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-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
EP-1689722-A2 4-AMINOPYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-08-16 EP 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

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

For each of this compound's patents that has machine-readable text (4 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 SCN9A 4682/4885TNK2 641/4885MEN1 2266/4885
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 SCN9A 4176/4885TNK2 3152/4885MEN1 4049/4885
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders TYMP, DPYD, CCNA2 SCN9A 4682/4885TNK2 641/4885MEN1 2266/4885
US-20110098301-A1 Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders DPYD, TYMP, TYMS SCN9A 4690/4885TNK2 409/4885MEN1 2674/4885

“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.