SCHEMBL13974871

SCHEMBL13974871

COCCN1CC(c2ccc(F)c(C#N)c2)[C@H](N)C1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 8/20 0.40
▸ DPP4 P27487 2/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ NTRK1 P04629 10/20 0.37

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
SCHEMBL13858579 1.00 PLA2G7 (0.40) PLA2G7DPP4DPP8NTRK1
SCHEMBL13858578 1.00 PLA2G7 (0.40) PLA2G7DPP4DPP8NTRK1
SCHEMBL13858580 1.00 PLA2G7 (0.40) PLA2G7DPP4DPP8NTRK1
SCHEMBL13858573 0.86 NTRK1 (0.46) NTRK1
SCHEMBL13858437 0.86 NTRK1 (0.46) NTRK1
SCHEMBL18662308 0.86 NTRK1 (0.46) NTRK1
SCHEMBL20331669 0.86 NTRK1 (0.46) NTRK1
Hydrochloric Acid SCHEMBL13858516 0.84 NTRK1 (0.45) NTRK1
SCHEMBL15730051 0.82 CYP2D6 (0.46) DPP4NTRK1
SCHEMBL13974925 0.82 CYP2D6 (0.46) DPP4NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851080-B2 Methods of treatment using pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds ARRAY BIOPHARMA INC. (US) 2020-12-01 — — US disclosed
EP-3409670-B1 N-PYRROLIDINYL, N'-PYRAZOLYL- UREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-09-09 — — EP disclosed
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-20180179182-A1 METHODS OF TREATMENT USING PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2018-06-28 — — US disclosed
US-9896435-B2 N-pyrrolidinyl,N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-02-20 — — 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-9790178-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 — — US disclosed
US-9790178-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 — — 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
US-20160297758-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-13 — — US disclosed
WO-2014078372-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 — — WO 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 (5 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 PLA2G7 4486/4885DPP4 3452/4885DPP8 3103/4885
US-20180179182-A1 METHODS OF TREATMENT USING PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS RNMT, MTAP, GMPS PLA2G7 2847/4885DPP4 2860/4885DPP8 2330/4885
US-20160297758-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TYMP PLA2G7 4085/4885DPP4 2427/4885DPP8 2276/4885
US-10851080-B2 Methods of treatment using pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds RNMT, MTAP, GMPS PLA2G7 2847/4885DPP4 2860/4885DPP8 2330/4885
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK PLA2G7 4486/4885DPP4 3452/4885DPP8 3103/4885

“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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