SCHEMBL3702895

SCHEMBL3702895

COc1ccccc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
PTGER3 P43115 1/20 0.44
KDM4E B2RXH2 3/20 0.43
BTK Q06187 1/20 0.42
AHR P35869 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GFER P55789 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41
ADRB3 P13945 1/20 0.39
CIT O14578 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 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
Hydrochloric Acid SCHEMBL3708512 0.99 MAPT (0.45) MAPTALDH1A1GAAPTGER3KDM4E
SCHEMBL3698259 0.92 MAPT (0.41) MAPTALDH1A1GAAPTGER3KDM4E
SCHEMBL27828003 0.92 CIT (0.41) MAPTALDH1A1GAAPTGER3KDM4E
SCHEMBL15052831 0.91 MAPT (0.44) MAPTALDH1A1GAAPTGER3KDM4E
SCHEMBL3700898 0.91 MEN1 (0.48) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL3700209 0.91 PKM (0.44) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL3712376 0.90 MEN1 (0.45) MAPTALDH1A1KDM4ELMNATP53
SCHEMBL3702950 0.90 KDR (0.42) MAPTALDH1A1GAAPTGER3KDM4E
Hydrochloric Acid SCHEMBL3710728 0.89 MEN1 (0.44) MAPTALDH1A1KDM4ELMNATP53
SCHEMBL3713729 0.89 CIT (0.39) CIT

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 MAPT 2492/4885ALDH1A1 1084/4885GAA 2549/4885

“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.