SCHEMBL3698259

SCHEMBL3698259

COc1ccc(F)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
PTGER3 P43115 4/20 0.40
MET P08581 3/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
BTK Q06187 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
BRAF P15056 1/20 0.37

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
SCHEMBL27828003 0.94 CIT (0.41) MAPTKMT2AMEN1HTTHTR3E
SCHEMBL15052906 0.92 KMT2A (0.40) MAPTKMT2AMEN1HTTHTR3E
SCHEMBL3702895 0.92 MAPT (0.46) MAPTKMT2AMEN1PTGER3ALDH1A1
SCHEMBL3700898 0.91 MEN1 (0.48) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL3700209 0.91 PKM (0.44) MAPTKMT2AMEN1HTTIRAK4
Hydrochloric Acid SCHEMBL3708512 0.91 MAPT (0.45) MAPTPTGER3ALDH1A1GAABTK
SCHEMBL3702950 0.90 KDR (0.42) MAPTKMT2AMEN1HTTIRAK4
SCHEMBL3712376 0.90 MEN1 (0.45) MAPTKMT2AMEN1IRAK4ALDH1A1
Hydrochloric Acid SCHEMBL3710728 0.90 MEN1 (0.44) MAPTKMT2AMEN1IRAK4ALDH1A1
SCHEMBL28790687 0.89 TP53 (0.37) MAPTKMT2AMEN1HTTPTGER3

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 MAPT 2492/4885KMT2A 1244/4885MEN1 1556/4885

“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.