SCHEMBL2305280

SCHEMBL2305280

c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.74
MAPT P10636 2/20 0.74
CYP2C19 P33261 5/20 0.69
CYP2D6 P10635 5/20 0.69
ALDH1A1 P00352 4/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
USP2 O75604 3/20 0.69
CYP1A2 P05177 6/20 0.65
CLK4 Q9HAZ1 5/20 0.65
CYP3A4 P08684 3/20 0.65
CYP2C9 P11712 3/20 0.65
TSHR P16473 2/20 0.65
MAPK1 P28482 3/20 0.64
BACE1 P56817 5/20 0.57
LMNA P02545 2/20 0.56
THRB P10828 1/20 0.56
ASIC3 Q9UHC3 1/20 0.56
ABL1 P00519 1/20 0.55
BCR P11274 1/20 0.55

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
SCHEMBL4666194 0.89 TP53 (0.61) TP53MAPTCYP2C19CYP2D6ALDH1A1
SCHEMBL12907690 0.89 TP53 (0.64) TP53MAPTCYP2C19CYP2D6ALDH1A1
SCHEMBL21704805 0.86 TP53 (1.00) TP53MAPTCYP2C19CYP2D6ALDH1A1
SCHEMBL1013229 0.85 TRPV1 (0.65) TP53MAPTCYP2C19CYP2D6ALDH1A1
SCHEMBL5923900 0.85 TRPV1 (0.65) TP53MAPTCYP2C19CYP2D6ALDH1A1
SCHEMBL1012574 0.85 ABL1 (0.75) TP53MAPTCYP2C19CYP2D6ALDH1A1
SCHEMBL414719 0.84 MEN1 (0.70) TP53MAPTCYP2C19CYP2D6ALDH1A1
SCHEMBL11916235 0.82 CCNT1 (0.58) TP53MAPTCYP2C19CYP2D6ALDH1A1
SCHEMBL21307520 0.82 CYP1A2 (0.62) TP53MAPTCYP2C19CYP2D6ALDH1A1
SCHEMBL26424222 0.82 CYP1A2 (0.62) TP53MAPTCYP2C19CYP2D6ALDH1A1

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
US-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-09-22 US claimed
EP-2350023-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch A/S (DK) 2011-08-03 EP claimed
WO-2010040826-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-04-15 WO claimed
US-10294218-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity VIROSTATICS SRL (IT) 2019-05-21 US disclosed
CN-104822380-B The novel disubstituted aminopyridine derivative of 4,6- 维罗斯塔蒂克斯公司 2019-01-01 CN disclosed
EP-2887943-B1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES VIROSTATICS SRL (IT) 2017-12-06 EP disclosed
US-20170204084-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVE ANTI-HIV ACTIVITY VIROSTATICS SRL (IT) 2017-07-20 US disclosed
US-9617225-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity VIROSTATICS SRL (IT) 2017-04-11 US disclosed
CN-104822380-A Novel 4,6-disubstituted aminopyrimidine derivatives VIROSTATICS SRL 2015-08-05 CN disclosed
EP-2887943-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES Virostatics Srl (IT) 2015-07-01 EP disclosed
US-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS VIROSTATICS SRL (IT) 2014-02-27 US disclosed
EP-2350023-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch A/S (DK) 2011-08-03 EP disclosed
EP-2350023-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch A/S (DK) 2011-08-03 EP disclosed
WO-2010040826-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-04-15 WO disclosed
WO-2010040826-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-04-15 WO disclosed
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US disclosed
EP-2049497-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS Astex Therapeutics Limited (GB) 2009-04-22 EP disclosed
EP-1313713-B1 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS ORTHO MCNEIL PHARM INC (US) 2008-06-11 EP disclosed
WO-2006123165-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-11-23 WO disclosed
US-20050203092-A1 4-Pyrimidinamine derivatives, pharmaceutical compositions and related methods BENJAMIN ELFRIDA R (US) 2005-09-15 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 (6 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-10294218-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity DUT, UMPS, DPYD TP53 1918/4885MAPT 1733/4885CYP2C19 1322/4885
US-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA6, CHRNA7 TP53 4766/4885MAPT 414/4885CYP2C19 1290/4885
US-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS DPYD, ABL1, BRD4 TP53 135/4885MAPT 2753/4885CYP2C19 440/4885
US-20050203092-A1 4-Pyrimidinamine derivatives, pharmaceutical compositions and related methods CASP3, CASP5, CASP4 TP53 1920/4885MAPT 696/4885CYP2C19 2096/4885
US-20170204084-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVE ANTI-HIV ACTIVITY UMPS, DPYD, DUT TP53 2711/4885MAPT 2104/4885CYP2C19 1323/4885
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors HSP90AB1, HSP90AB2P, HSP90B1 TP53 57/4885MAPT 166/4885CYP2C19 2450/4885

“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.