SCHEMBL3695287

SCHEMBL3695287

Cc1c(Br)cccc1NC(=O)Nc1cccc2c1ccn2Cc1c[nH]c2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
DRD4 P21917 7/20 0.39
DRD3 P35462 6/20 0.39
DRD2 P14416 5/20 0.39
GPR84 Q9NQS5 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
FGFR1 P11362 1/20 0.36
FGFR4 P22455 1/20 0.36
AXL P30530 1/20 0.36
PTGER3 P43115 1/20 0.35
HTR7 P34969 2/20 0.35
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.35
BRAF P15056 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL3713785 0.92 ITGB2 (0.43) MTNR1AITGB2ICAM1ITGALDRD4
Hydrochloric Acid SCHEMBL3699516 0.91 ITGB2 (0.42) MTNR1AITGB2ICAM1ITGALDRD4
SCHEMBL3704922 0.90 HTR1A (0.42) MTNR1ADRD4DRD3DRD2GPR84
SCHEMBL3699237 0.89 KMT2A (0.46) MTNR1ADRD4DRD3DRD2KDM4E
SCHEMBL3696979 0.89 MTNR1A (0.38) MTNR1AITGB2ICAM1ITGALDRD4
SCHEMBL3699011 0.88 ALDH1A1 (0.45) MTNR1ADRD4DRD3DRD2GPR84
SCHEMBL3697488 0.88 JAK2 (0.37) ALDH1A1PTGER3BRAF
Hydrochloric Acid SCHEMBL3706766 0.87 ALDH1A1 (0.44) MTNR1ADRD4DRD3DRD2GPR84
SCHEMBL27807477 0.87 DRD4 (0.41) MTNR1AITGB2ICAM1ITGALDRD4
SCHEMBL3703390 0.86 DRD2 (0.45) MTNR1ADRD4DRD3DRD2GPR84

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 4 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
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 MTNR1A 1755/4885ITGB2 451/4885ICAM1 1118/4885

“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.