SCHEMBL938744

SCHEMBL938744

Cc1cccnc1-c1[c]nc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2A6 P11509 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PRMT5 O14744 1/20 0.36
TGFBR1 P36897 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
METAP2 P50579 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
MBNL1 Q9NR56 1/20 0.35
NQO2 P16083 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL1385432 0.77 ALDH1A1 (0.42) ALDH1A1NPC1KDM4ECYP2A6CYP1A2
SCHEMBL3933846 0.77 KDM4E (0.41) ALDH1A1NPC1KDM4ECYP2A6CYP1A2
SCHEMBL2320187 0.74 KDM4E (0.47) ALDH1A1NPC1KDM4ECYP1A2TDP1
SCHEMBL2447211 0.73 KDM4E (0.44) ALDH1A1NPC1KDM4EPDE10ATDP1
SCHEMBL15229223 0.73 ALDH1A1 (0.43) ALDH1A1NPC1KDM4ETGFBR1POLB
SCHEMBL12002555 0.72 CYP2A6 (0.43) NPC1KDM4ECYP2A6TDP1TGFBR1
SCHEMBL28358019 0.70 CYP2A6 (0.45) ALDH1A1CYP2A6METAP2CCR1CCR8
SCHEMBL628270 0.70 ALDH1A1 (0.43) ALDH1A1NPC1KDM4ECYP2A6PDE10A
SCHEMBL7914703 0.69 PDGFRB (0.50) ALDH1A1NPC1KDM4ECYP2A6CYP1A2
SCHEMBL521935 0.69 NQO2 (0.46) ALDH1A1NPC1KDM4EPDE10ACYP1A2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4636486-B2 2011-02-23 JP claimed
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity BAYER HEALTHCARE LLC 2008-09-18 US claimed
EP-1478358-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY Bayer Pharmaceuticals Corporation (US) 2004-11-24 EP claimed
US-20030207870-A1 Aryl ureas with angiogenisis inhibiting activity BAYER CORPORATION 2003-11-06 US claimed
WO-2003068228-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-08-21 WO claimed
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity BAYER HEALTHCARE LLC (US) 2020-05-19 US disclosed
US-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2018-10-18 US disclosed
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2016-01-21 US disclosed
US-8618141-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE LLC (US) 2013-12-31 US disclosed
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-11-15 US disclosed
US-8242147-B2 Aryl ureas with angiogenisis inhibiting activity BAYER HEALTHCARE LLC (US) 2012-08-14 US disclosed
EP-1636585-B2 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-06-13 EP disclosed
EP-1636585-B1 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER PHARMACEUTICALS CORP (US) 2008-01-16 EP disclosed
WO-2007053574-A2 COMBINATIONS COMPRISING SORAFENIB AND INTERFERON FOR THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-10 WO disclosed
US-20070020704-A1 Diaryl ureas with kinase inhibiting activity BAYER HEALTHCARE LLC 2007-01-25 US disclosed
EP-1636585-A2 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY Bayer Pharmaceuticals Corporation (US) 2006-03-22 EP disclosed
WO-2004113274-A2 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-12-29 WO disclosed
EP-1478358-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY Bayer Pharmaceuticals Corporation (US) 2004-11-24 EP disclosed
US-20030207870-A1 Aryl ureas with angiogenisis inhibiting activity BAYER CORPORATION 2003-11-06 US disclosed
WO-2003068228-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-08-21 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 (7 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-20030207870-A1 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR ALDH1A1 1345/4885NPC1 2683/4885KDM4E 1027/4885
US-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR ALDH1A1 1345/4885NPC1 2683/4885KDM4E 1027/4885
US-20070020704-A1 Diaryl ureas with kinase inhibiting activity FLT4, FLT1, FLT3 ALDH1A1 735/4885NPC1 3773/4885KDM4E 1247/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR ALDH1A1 1345/4885NPC1 2683/4885KDM4E 1027/4885
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity FLT1, FLT4, KDR ALDH1A1 1345/4885NPC1 2683/4885KDM4E 1027/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR ALDH1A1 1255/4885NPC1 2388/4885KDM4E 1076/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR ALDH1A1 1345/4885NPC1 2683/4885KDM4E 1027/4885

“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.