SCHEMBL18103467

SCHEMBL18103467

COCc1cc2c(C)cccc2cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.41
▸ CYP2A6 P11509 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ PDE10A Q9Y233 6/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ POLB P06746 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
SCHEMBL11371036 0.83 PDE10A (0.44) CYP1A2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL18100998 0.80 MEN1 (0.35) CYP1A2MAPTPDE10APIK3CDPIK3CA
SCHEMBL3155176 0.78 CYP1A2 (0.48) CYP1A2CYP2A6MAPTPDE10APIK3CD
SCHEMBL11365421 0.77 ALDH1A1 (0.44) CYP1A2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL11390694 0.76 ABCB11 (0.45) CYP1A2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL18103465 0.75 S1PR4 (0.39) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL8404533 0.73 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL18103464 0.73 NOTUM (0.38) ALDH1A1HPGDMAPTPIK3CDPIK3CA
SCHEMBL18103468 0.73 MAPT (0.35) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL14359369 0.71 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10

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 CYP1A2 2553/4885CYP2A6 3385/4885ALDH1A1 2869/4885

“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.

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