SCHEMBL3699433

SCHEMBL3699433

O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN2Cc1c[nH]c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.47
HTR2A P28223 3/20 0.47
HTR7 P34969 3/20 0.47
RAB9A P51151 1/20 0.44
STING1 Q86WV6 1/20 0.43
BRAF P15056 2/20 0.41
HTR6 P50406 1/20 0.41
DRD4 P21917 5/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
P2RY1 P47900 5/20 0.40
ALOX5 P09917 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 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
SCHEMBL3703082 0.92 DRD4 (0.45) HTR1AHTR2AHTR7HTR6DRD4
SCHEMBL15053550 0.92 RAB9A (0.42) HTR1AHTR2AHTR7RAB9ASTING1
SCHEMBL3709379 0.92 HTR1A (0.43) HTR1AHTR2AHTR7RAB9ABRAF
SCHEMBL3708118 0.91 DRD4 (0.47) HTR1AHTR2AHTR7STING1BRAF
SCHEMBL3709385 0.91 DRD4 (0.47) HTR1AHTR2AHTR7RAB9ASTING1
SCHEMBL3697641 0.91 BRAF (0.47) HTR1AHTR2AHTR7RAB9ASTING1
SCHEMBL3705882 0.91 BRAF (0.49) HTR1AHTR2AHTR7STING1BRAF
SCHEMBL3702250 0.90 HTR2A (0.52) HTR1AHTR2AHTR7RAB9AHTR6
SCHEMBL3709473 0.89 P2RY1 (0.41) HTR1AHTR2AHTR7BRAFHTR6
SCHEMBL3704132 0.89 DRD4 (0.49) HTR1AHTR2AHTR7RAB9AHTR6

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 HTR1A 1518/4885HTR2A 1776/4885HTR7 1326/4885

“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.