SCHEMBL15716656

SCHEMBL15716656

COCCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.53
ALOX15 P16050 1/20 0.53
PNMT P11086 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
SIGMAR1 Q99720 11/20 0.47
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 2/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
IDO1 P14902 3/20 0.46
CYP2D6 P10635 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45

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
SCHEMBL16771200 0.88 PNMT (0.55) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL8037047 0.85 SKP2 (0.40) IGF1RALOX15PNMTTAAR1KCNH2
SCHEMBL91281 0.82 L3MBTL1 (0.43) IGF1RALOX15KCNH2ALDH1A1
SCHEMBL78610 0.81 LMNA (0.43) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL13154801 0.81 CYP2C8 (0.39) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL695591 0.80 TDP1 (0.44) IGF1RALOX15SIGMAR1TSHRMEN1
SCHEMBL15809160 0.79 MRGPRX4 (0.48) ALDH1A1TP53MAPT
SCHEMBL3655884 0.78 KCNH2 (0.47) IGF1RALOX15TAAR1SIGMAR1KCNH2
SCHEMBL9177318 0.78 SIGMAR1 (0.62) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL28664329 0.78 ALOX15 (0.46) IGF1RALOX15PNMTTAAR1SIGMAR1

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-9790210-B2 N-(monocyclic aryl),N'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 US disclosed
US-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 US disclosed
WO-2014078325-A1 N-(MONOCYCLIC ARYL),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-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TNNI3K IGF1R 2127/4885ALOX15 4610/4885PNMT 531/4885

“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.