SCHEMBL13858461

SCHEMBL13858461

O=C=Nc1c2c(nn1-c1ccncc1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPK10 P53779 1/20 0.40
ENPP2 Q13822 1/20 0.33
CHKA P35790 1/20 0.32
TGFBR1 P36897 2/20 0.31
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL13858451 0.74 ALDH1A1 (0.42) ALDH1A1MAPK10CHKATGFBR1PTGS2
SCHEMBL20754953 0.69 ENPP2 (0.50) ENPP2
SCHEMBL21625527 0.67 HTR2A (0.32)
SCHEMBL25259943 0.65 ALDH1A1 (0.51) ALDH1A1MAPK10TMEM97SIGMAR1
SCHEMBL25218703 0.62 ALDH1A1 (0.48) ALDH1A1MAPK10TMEM97SIGMAR1
SCHEMBL20634364 0.60 CYP19A1 (0.39)
SCHEMBL30684176 0.60 CYP19A1 (0.39)
SCHEMBL11699718 0.60 PTGS2 (0.47) ALDH1A1MAPK10PTGS2
SCHEMBL11593409 0.60 PTGS2 (0.48) ENPP2PTGS2
SCHEMBL13860399 0.59 NTRK1 (0.35) TGFBR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-06-18 US disclosed
US-20180334450-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-11-22 US disclosed
US-9878997-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-01-30 US disclosed
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-08-03 US disclosed
US-9562055-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-02-07 US disclosed
EP-2712358-B1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2016-12-21 EP disclosed
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS Array BioPharama Inc. (US) 2015-06-18 US disclosed
WO-2012158413-A2 PYRROLIDINYL UREA AND PYRROLIDINYL THIOUREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-22 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 (4 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-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK ALDH1A1 3125/4885MAPK10 643/4885ENPP2 3624/4885
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK ALDH1A1 3125/4885MAPK10 643/4885ENPP2 3624/4885
US-20180334450-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK ALDH1A1 3125/4885MAPK10 643/4885ENPP2 3624/4885
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK ALDH1A1 3125/4885MAPK10 643/4885ENPP2 3624/4885

“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.