SCHEMBL3208265

SCHEMBL3208265

Cc1ccc(N)cc1-c1ccc(C(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.40
GRM5 P41594 1/20 0.39
PLA2G7 Q13093 1/20 0.38
CASP1 P29466 2/20 0.38
TSHR P16473 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PIK3CD O00329 3/20 0.36
PIK3CB P42338 3/20 0.36
PIK3CG P48736 3/20 0.36
MTOR P42345 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHRNA7 P36544 1/20 0.35
CYP3A4 P08684 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
LRRK2 Q5S007 1/20 0.34
FYN P06241 1/20 0.33
USP7 Q93009 1/20 0.33

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
SCHEMBL575050 0.80 PTGS2 (0.43) ABL1GRM5PLA2G7CASP1TSHR
SCHEMBL16787517 0.77 ABL1 (0.40) ABL1CYP3A4USP7
SCHEMBL20437914 0.77 LCK (0.42) ABL1TSHRALDH1A1CYP3A4
SCHEMBL26923043 0.76 ALDH1A1 (0.45) ABL1GRM5PLA2G7CASP1TSHR
SCHEMBL13495562 0.75 GRM5 (0.44) ABL1GRM5PLA2G7CASP1TSHR
SCHEMBL20437891 0.74 ABL1 (0.46) ABL1
SCHEMBL22579317 0.74 ESR1 (0.38) ABL1GRM5
SCHEMBL3204076 0.74 ABL1 (0.39) ABL1GRM5PLA2G7CASP1TSHR
SCHEMBL3197156 0.74 ABL1 (0.39) ABL1GRM5PIK3CDPIK3CBPIK3CG
SCHEMBL3783964 0.73 ALDH1A1 (0.54) PLA2G7CASP1TSHRPDE10AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010019930-A1 UREA DERIVATIVES AS INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
WO-2010019930-A1 UREA DERIVATIVES AS INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 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-20100041642-A1 UREA INHIBITORS OF MAP KINASES MAP4K2, MAP3K1, MAP3K20 ABL1 868/4885GRM5 4631/4885PLA2G7 2548/4885

“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.