SCHEMBL4447801

SCHEMBL4447801

CS(=O)(=O)c1nccc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.54
KMT2A Q03164 3/20 0.53
HPGD P15428 3/20 0.53
MEN1 O00255 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SDHB P21912 2/20 0.53
S1PR4 O95977 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
S1PR1 P21453 1/20 0.53
MAPK1 P28482 1/20 0.53
STAT3 P40763 1/20 0.53
STAT1 P42224 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TLR9 Q9NR96 1/20 0.53
AURKA O14965 1/20 0.50
HSP90AA1 P07900 1/20 0.50

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
SCHEMBL30122726 0.88 SDHB (0.47) BPTFKMT2AHPGDMEN1RAB9A
SCHEMBL28146826 0.86 NPC1 (0.45) BPTFKMT2AHPGDMEN1RAB9A
SCHEMBL3572760 0.85 HSP90AA1 (0.57) RAB9ALMNAPOLBHSP90AA1CYP3A4
SCHEMBL2410945 0.83 RAB9A (0.56) KMT2AHPGDMEN1RAB9ALMNA
SCHEMBL4071288 0.83 KMO (0.51) KMT2AMEN1LMNAHTTIKBKB
SCHEMBL4900807 0.82 DKK1 (0.50) BPTFKMT2AHPGDMEN1RAB9A
SCHEMBL27764279 0.82 IKBKB (0.55) BPTFKMT2AMEN1RAB9AAURKA
SCHEMBL5906786 0.82 EGFR (0.53) KMT2AHPGDMEN1RAB9APOLB
SCHEMBL5361055 0.81 KDM4E (0.52) KMT2AHPGDMEN1RAB9ALMNA
SCHEMBL18963 0.79 NPSR1 (0.49) KMT2AHPGDMEN1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094254-B Heteroaryl derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-07-26 CN disclosed
CN-104271576-A Pyridopyrimidinone inhibitors of kinases ABBVIE INC 2015-01-07 CN disclosed
US-7589095-B2 4-phenyl-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2009-09-15 US disclosed
EP-1758870-B1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2008-08-13 EP disclosed
US-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives Cai, Jiaqiang 2008-04-17 US disclosed
CN-1980897-A 4-phenyl-pyrimidine-2-carbonitrile derivatives ORGANON NV (NL) 2007-06-13 CN disclosed
EP-1758870-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2007-03-07 EP disclosed
WO-2005121106-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2005-12-22 WO disclosed
US-6777412-B2 PYRIMIDIN-4-YLOXY)PHENYL)-3-METHOXYPROPENOATE DERIVATIVES SYNGENTA LIMITED (GB) 2004-08-17 US disclosed
US-20040092746-A1 Pyrimidinyloxyphenyl-3-alkoxypropenoate derivatives as pesticides CLOUGH JOHN MARTIN (GB) 2004-05-13 US disclosed
US-6613773-B2 Pyrimidinyloxyphenyl-3-alkoxypropenoates derivatives SYNGENTA LIMITED (GB) 2003-09-02 US disclosed
US-20030060626-A1 Fungicides SYNGENTA LIMITED (GB) 2003-03-27 US disclosed
EP-0468695-B1 Fungicides ZENECA LTD (GB) 1996-09-11 EP disclosed
EP-0468695-A1 Fungicides ZENECA LIMITED (GB) 1992-01-29 EP disclosed
US-4209621-A TRANQUILIZERS AMERICAN CYANAMID COMPANY (US) 1980-06-24 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-20040092746-A1 Pyrimidinyloxyphenyl-3-alkoxypropenoate derivatives as pesticides DDT, SQOR, TH BPTF 4823/4885KMT2A 491/4885HPGD 1482/4885
US-20030060626-A1 Fungicides CYP51A1, CYP1A1, CYP1A2 BPTF 4874/4885KMT2A 352/4885HPGD 2919/4885
US-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives P2RY4, P2RX4, P2RY1 BPTF 478/4885KMT2A 3689/4885HPGD 576/4885

“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.