SCHEMBL3706596

SCHEMBL3706596

Cc1ccccc1NC(=O)Nc1cccc2c1CCN2Cc1c[nH]c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.44
HTR7 P34969 4/20 0.44
HTR1A P08908 2/20 0.44
HTR6 P50406 2/20 0.44
DRD4 P21917 7/20 0.43
DRD2 P14416 6/20 0.43
DRD3 P35462 6/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MTNR1A P48039 1/20 0.39
MET P08581 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
SCHEMBL15052954 0.91 ALDH1A1 (0.40) HTR2AHTR7HTR1AHTR6DRD4
SCHEMBL3703082 0.90 DRD4 (0.45) HTR2AHTR7HTR1AHTR6DRD4
SCHEMBL3697641 0.90 BRAF (0.47) HTR2AHTR7HTR1AHTR6DRD4
SCHEMBL3701920 0.89 HTR2A (0.43) HTR2AHTR7HTR1AHTR6DRD4
SCHEMBL3702250 0.89 HTR2A (0.52) HTR2AHTR7HTR1AHTR6DRD4
SCHEMBL3703084 0.89 HTR2A (0.43) HTR2AHTR7HTR1AHTR6DRD4
SCHEMBL3693957 0.89 HTR1A (0.54) HTR2AHTR7HTR1AHTR6DRD4
SCHEMBL3706319 0.88 RIPK1 (0.41) HTR2AHTR7HTR1AHTR6DRD4
SCHEMBL3710715 0.88 HTR2A (0.42) HTR2AHTR7HTR1AHTR6DRD4
SCHEMBL3703376 0.88 MAPT (0.41) ALDH1A1MAPTNPSR1L3MBTL1NPC1

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

“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.