SCHEMBL3696706

SCHEMBL3696706

O=[N+]([O-])c1cccc2c1ccn2Cc1c[nH]c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.47
GPR84 Q9NQS5 1/20 0.45
DRD4 P21917 5/20 0.43
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MTNR1A P48039 1/20 0.41
HTR1A P08908 3/20 0.41
HTR2A P28223 3/20 0.41
HTR7 P34969 3/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40

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
SCHEMBL3698918 0.85 ALDH1A1 (0.45) METPOLBNCOA1NCOA3ALDH1A1
SCHEMBL4569772 0.74 SMN1; SMN2 (0.43) METDRD2DRD3POLBNPC1
SCHEMBL3705574 0.74 MAPT (0.44) METGPR84DRD4DRD2DRD3
SCHEMBL3713785 0.73 ITGB2 (0.43) METGPR84DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL3706342 0.73 MAPT (0.43) METGPR84DRD4DRD2DRD3
SCHEMBL3705925 0.73 HTR1A (0.46) GPR84DRD4DRD2DRD3POLB
SCHEMBL3699011 0.73 ALDH1A1 (0.45) METGPR84DRD4DRD2DRD3
SCHEMBL3705143 0.73 HTT (0.46) GPR84DRD4DRD2DRD3POLB
SCHEMBL5592545 0.73 RECQL (0.42) METPOLBALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL3697923 0.72 HTT (0.45) GPR84DRD4DRD2DRD3POLB

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 2 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 disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US 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 MET 4/4885GPR84 372/4885DRD4 4748/4885

“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.