SCHEMBL18100993

SCHEMBL18100993

COCc1ccc2cncc(C(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
PDE10A Q9Y233 3/20 0.36
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
NOS1 P29475 3/20 0.32
NOS2 P35228 3/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
VCAM1 P19320 1/20 0.32
GRM5 P41594 2/20 0.32
SYK P43405 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31

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
SCHEMBL21569496 0.83 CYP1A2 (0.43) PDE10ALMNASLC22A12CYP1A2
SCHEMBL18103469 0.80 CYP11B1 (0.42) CYP11B1CYP11B2PDE10AMAOADYRK1A
SCHEMBL15732196 0.78 CYP11B1 (0.41) CYP11B1CYP11B2PDE10AMAOADYRK1A
SCHEMBL18100986 0.78 HTR2C (0.40) LMNATP53CYP1A2
SCHEMBL24916399 0.76 CYP11B2 (0.49) CYP11B1CYP11B2PDE10ACYP1A2CYP3A4
SCHEMBL18101005 0.76 MAOA (0.44) PDE10AMAOADYRK1ALMNATP53
SCHEMBL18100991 0.75 MAOA (0.37) CYP11B1CYP11B2MAOADYRK1ASLC22A12
SCHEMBL17811233 0.74 LMNA (0.34) LMNASLC22A12
SCHEMBL24767979 0.74 LMNA (0.46) PDE10ALMNACYP1A2
SCHEMBL30824478 0.72 CYP19A1 (0.50) CYP11B1CYP11B2PDE10ALMNATP53

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 CYP11B1 3793/4885CYP11B2 4107/4885PDE10A 549/4885

“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.