SCHEMBL3704922

SCHEMBL3704922

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
BRAF P15056 2/20 0.41
MTNR1A P48039 1/20 0.40
PDPK1 O15530 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
DRD4 P21917 6/20 0.37
DRD2 P14416 5/20 0.37
DRD3 P35462 5/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
FGFR1 P11362 1/20 0.36
FGFR4 P22455 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER3 P43115 1/20 0.36

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
SCHEMBL3705925 0.93 HTR1A (0.46) HTR1AHTR2AHTR7MTNR1APDPK1
Hydrochloric Acid SCHEMBL3711698 0.92 HTR1A (0.45) HTR1AHTR2AHTR7MTNR1APDPK1
SCHEMBL3695287 0.90 MTNR1A (0.39) HTR2AHTR7BRAFMTNR1APDPK1
SCHEMBL3699237 0.90 KMT2A (0.46) MTNR1ADRD4DRD2DRD3KDM4E
SCHEMBL3699402 0.90 BRAF (0.44) HTR1AHTR2AHTR7BRAFMTNR1A
SCHEMBL3699011 0.89 ALDH1A1 (0.45) MTNR1AGPR84DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL3706766 0.88 ALDH1A1 (0.44) MTNR1AGPR84DRD4DRD2DRD3
SCHEMBL28790701 0.88 HTR1A (0.42) HTR1AHTR2AHTR7BRAFMTNR1A
SCHEMBL3710294 0.88 PTGER3 (0.42) HTR1AHTR2AHTR7BRAFMTNR1A
SCHEMBL3699203 0.87 BRAF (0.38) BRAFKDM4EALDH1A1MEN1KMT2A

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 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.