SCHEMBL641776

SCHEMBL641776

N=C(Cc1ccc(F)cc1Cl)NO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.40
ADAMTS4 O75173 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 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
SCHEMBL837381 0.86 P2RX7 (0.38) P2RX7ADAMTS4MMP2MMP13MMP14
SCHEMBL2644246 0.82 IDO1 (0.49) P2RX7CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL836280 0.79 MAPK8 (0.40) MMP2MAPTMEN1KMT2A
SCHEMBL838375 0.74 CYP3A4 (0.37) MEN1CYP3A4MAPK1KMT2A
SCHEMBL641851 0.74 PKM (0.50) MAPTLMNAALDH1A1MEN1CYP3A4
SCHEMBL6071928 0.74 L3MBTL1 (0.43) P2RX7MAPTL3MBTL1POLBALDH1A1
SCHEMBL30911087 0.73 MEN1 (0.52) P2RX7MAPTL3MBTL1POLBALDH1A1
SCHEMBL1699587 0.73 MEN1 (0.52) P2RX7MAPTL3MBTL1POLBALDH1A1
SCHEMBL837008 0.73 ALDH1A1 (0.46) P2RX7MAPTLMNAL3MBTL1POLB
SCHEMBL835822 0.72 P2RX7 (0.38) P2RX7MAPTLMNAALDH1A1MEN1

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-101932577-B Heteroaryl-substituted piperidines BAYER HEALTHCARE AG 2013-07-17 CN disclosed
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
CN-101282977-B Xanthine derivatives as selective hm74a agonists SMITHKLINE BEECHAM CORP 2011-07-27 CN disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
EP-2272848-A1 Xanthine derivatives as selective HM74A agonists Glaxosmithkline LLC (US) 2011-01-12 EP disclosed
CN-101932577-A Heteroaryl-substituted piperidines BAYER HEALTHCARE AG 2010-12-29 CN disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
CN-101282976-A Xanthine derivatives as selective HM74A agonists SMITHKLINE BEECHAM CORP (US) 2008-10-08 CN disclosed
CN-101282977-A Xanthine derivatives as selective hm74a agonists SMITHKLINE BEECHAM CORP (US) 2008-10-08 CN 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 (5 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 P2RX7 326/4885ADAMTS4 3831/4885MMP2 3260/4885
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 P2RX7 33/4885ADAMTS4 3683/4885MMP2 2573/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH P2RX7 30/4885ADAMTS4 3884/4885MMP2 3134/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 P2RX7 39/4885ADAMTS4 3752/4885MMP2 2620/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 P2RX7 326/4885ADAMTS4 3831/4885MMP2 3260/4885

“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.