SCHEMBL15716233

SCHEMBL15716233

CCOc1ccc(C2CC2)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ RXFP1 Q9HBX9 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ BRCA1 P38398 1/20 0.46
▸ HBB P68871 1/20 0.46
▸ GLA P06280 1/20 0.45
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ HTT P42858 1/20 0.42
▸ TSHR P16473 3/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ HPGD P15428 4/20 0.40

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
SCHEMBL16956973 0.84 CHRNB2 (0.41) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL10337772 0.80 CYP11B1 (0.39) ALDH1A1MAPTHSD17B10KDM4ERAB9A
SCHEMBL10337770 0.80 CYP11B1 (0.39) ALDH1A1MAPTHSD17B10KDM4ERAB9A
SCHEMBL11843714 0.78 MAOB (0.59) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL23460651 0.78 IKBKB (0.37) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL16957262 0.77 NQO1 (0.45) ALDH1A1HSD17B10KDM4EKMT2AMEN1
SCHEMBL23460482 0.76 TDP1 (0.43) ALDH1A1MAPTHSD17B10KDM4EKMT2A
SCHEMBL10711621 0.76 SMPD1 (0.38) ALDH1A1KDM4EHTTTSHRHPGD
SCHEMBL16952301 0.76 KDM4E (0.43) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL16957550 0.76 CHRNB2 (0.42) ALDH1A1KDM4ETP53RAB9ANPC1

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
US-9969694-B2 N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 — — US disclosed
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-22 — — US disclosed
WO-2014078331-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 — — WO 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-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, CNKSR1, CHUK ALDH1A1 2649/4885MAPT 656/4885HSD17B10 4807/4885

“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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