SCHEMBL3699567

SCHEMBL3699567

O=C(Nc1cccc(F)c1)Nc1cccc2c1ccn2Cc1c[nH]c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 5/20 0.47
PDPK1 O15530 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 2/20 0.43
P2RY1 P47900 1/20 0.43
BRAF P15056 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
KDM4E B2RXH2 1/20 0.41
SHMT2 P34897 1/20 0.41
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39

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
Hydrochloric Acid SCHEMBL3700291 0.99 PTGER3 (0.46) PTGER3PDPK1KMT2AMEN1MAPT
SCHEMBL15052978 0.91 KMT2A (0.42) PTGER3PDPK1KMT2AMEN1MAPT
SCHEMBL3705879 0.91 RAB9A (0.46) PTGER3PDPK1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL3697415 0.90 RAB9A (0.45) PTGER3PDPK1KMT2AMEN1MAPT
SCHEMBL3705574 0.90 MAPT (0.44) PDPK1KMT2AMEN1MAPTP2RY1
SCHEMBL3712084 0.90 PTGER3 (0.48) PTGER3PDPK1KMT2AMEN1MAPT
SCHEMBL3706989 0.90 PTGER3 (0.47) PTGER3PDPK1MAPTRAB9ANPC1
SCHEMBL3712109 0.90 PTGER3 (0.47) PTGER3PDPK1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL3706342 0.89 MAPT (0.43) PDPK1KMT2AMEN1MAPTP2RY1
SCHEMBL3707797 0.89 TRPV1 (0.49) MAPTP2RY1BRAFTRPV1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US claimed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US claimed
CN-102066372-A 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2011-05-18 CN claimed
CN-102066372-B 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2014-09-17 CN disclosed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US disclosed
CN-102066372-A 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2011-05-18 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 (1 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 PTGER3 2307/4885PDPK1 985/4885KMT2A 1244/4885

“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.