SCHEMBL18102201

SCHEMBL18102201

Cc1ccc(=O)n(CF)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPT P10636 5/20 0.60
KDM4E B2RXH2 4/20 0.60
POLB P06746 2/20 0.60
CYP1A2 P05177 2/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 1/20 0.36
MAPK14 Q16539 5/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
CMA1 P23946 1/20 0.33
CTRC Q99895 1/20 0.33
DPP4 P27487 1/20 0.33
LMNA P02545 1/20 0.31
CYP3A4 P08684 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
SCHEMBL11983452 0.82 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EPOLBCYP1A2
SCHEMBL24989822 0.80 KDM4E (0.58) ALDH1A1MAPTKDM4EPOLBCYP1A2
SCHEMBL27739339 0.80 KDM4E (0.58) ALDH1A1MAPTKDM4EPOLBCYP1A2
SCHEMBL15046551 0.79 KDM4E (0.53) ALDH1A1MAPTKDM4EPOLBCYP1A2
SCHEMBL16075164 0.79 KDM4E (0.53) ALDH1A1MAPTKDM4EPOLBCYP1A2
SCHEMBL11929544 0.78 KDM4E (0.56) ALDH1A1MAPTKDM4EPOLBCYP1A2
SCHEMBL11929541 0.77 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EPOLBCYP1A2
SCHEMBL21384157 0.77 KDM4E (0.55) ALDH1A1MAPTKDM4EPOLBCYP1A2
SCHEMBL28605468 0.77 KDM4E (0.55) ALDH1A1MAPTKDM4EPOLBCYP1A2
SCHEMBL9609775 0.77 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EPOLBCYP1A2

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 4 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
US-20160280702-A1 THIAZOLYL AND OXAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 US disclosed
US-20160280690-A1 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 (3 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-20160280702-A1 THIAZOLYL AND OXAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, MUSK, CHUK ALDH1A1 2606/4885MAPT 556/4885KDM4E 2324/4885
US-20160280690-A1 PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, TDP1, TNNI3K ALDH1A1 3392/4885MAPT 452/4885KDM4E 2479/4885
US-20160280681-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, TNNI3K, CHUK ALDH1A1 2869/4885MAPT 684/4885KDM4E 2511/4885

“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.