SCHEMBL18136459

SCHEMBL18136459

Cc1ccc(-c2cccc(S(C)(=O)=O)c2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.48
GRM2 Q14416 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
NR1H2 P55055 5/20 0.45
NR1H3 Q13133 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
ATR Q13535 3/20 0.42
PTGDR Q13258 1/20 0.41
JAK2 O60674 1/20 0.41
PRKDC P78527 1/20 0.41
ATM Q13315 1/20 0.41
MTOR P42345 1/20 0.41
SDHB P21912 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 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
SCHEMBL18134401 0.82 KCNH2 (0.44) KCNH2GRM2CTSSCTSKNR1H2
SCHEMBL12269947 0.81 CYP2A6 (0.51) KCNH2GRM2CTSSCTSKNR1H2
SCHEMBL18136462 0.80 PTGS2 (0.44) GRM2
SCHEMBL19645436 0.78 CTSS (0.45) KCNH2GRM2CTSSCTSKNR1H2
SCHEMBL15478282 0.77 MAPT (0.47) KCNH2CTSSCTSKNR1H2NR1H3
SCHEMBL15308501 0.77 ATR (0.61) KCNH2LOXL2ATRJAK2PRKDC
SCHEMBL13299577 0.76 KMO (0.47) GRM2CTSSCTSK
SCHEMBL6243674 0.75 KCNH2 (0.50) KCNH2CTSSCTSKNR1H2NR1H3
SCHEMBL27807848 0.75 KCNH2 (0.48) KCNH2GRM2CTSSCTSKNR1H2
SCHEMBL8658568 0.75 KCNH2 (0.54) KCNH2GRM2CTSSCTSKNR1H2

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-9828360-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-28 US disclosed
US-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-13 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-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TYMP KCNH2 2239/4885GRM2 2961/4885CTSS 1027/4885

“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.