SCHEMBL18101005

SCHEMBL18101005

COCc1ccc2c(C)ncc(C(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
DYRK1A Q13627 1/20 0.44
SYK P43405 1/20 0.36
PDE10A Q9Y233 5/20 0.36
SLC22A12 Q96S37 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NOD2 Q9HC29 1/20 0.31
BAD Q92934 1/20 0.31
CHEK1 O14757 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL18100991 0.84 MAOA (0.37) MAOADYRK1ASYKSLC22A12BAD
SCHEMBL18103471 0.83 MAOA (0.47) MAOADYRK1ASYKPDE10ASLC22A12
SCHEMBL18100987 0.80 MAOA (0.35) MAOADYRK1ASYKPDE10A
SCHEMBL15732195 0.80 MAOA (0.45) MAOADYRK1ASYKPDE10ASLC22A12
SCHEMBL18103474 0.80 PDE10A (0.48) MAOADYRK1APDE10A
SCHEMBL18103477 0.80 MAOA (0.47) MAOADYRK1ASYKPDE10ASLC22A12
SCHEMBL18101001 0.78 MAOA (0.37) MAOADYRK1ASYKLMNABAD
SCHEMBL18103475 0.77 MAOA (0.45) MAOADYRK1ASYKPDE10ASLC22A12
SCHEMBL24916401 0.76 P2RX3 (0.42) MAOADYRK1AKDM4EMAPTHPGD
SCHEMBL18100993 0.76 CYP11B1 (0.40) MAOADYRK1ASYKPDE10ASLC22A12

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-9546156-B2 N-bicyclic aryl,N'-pyrazolyl urea, thiourea, guanidine cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-01-17 US disclosed
US-20160280681-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 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-20160280681-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, TNNI3K, CHUK MAOA 1846/4885DYRK1A 544/4885SYK 191/4885

“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.