SCHEMBL13975261

SCHEMBL13975261

Cc1ccn(CC(F)(F)F)c(=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ PTGDR2 Q9Y5Y4 5/20 0.38
▸ PDE10A Q9Y233 2/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ BMPR1B O00238 1/20 0.32
▸ ACVRL1 P37023 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32

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
SCHEMBL15473396 0.84 DRD2 (0.36) DRD2DRD3MEN1KMT2AKDM4E
SCHEMBL18656031 0.82 PTPN5 (0.41) PTGDR2PDE10AALDH1A1CYP3A4CYP2C9
SCHEMBL12640089 0.80 PIK3CD (0.41) DRD2DRD3PDE10AKDM4EALDH1A1
SCHEMBL18324218 0.79 GRIA2 (0.36) PDE10AMEN1KMT2AKDM4EALDH1A1
SCHEMBL22295995 0.79 KDM4E (0.38) DRD2DRD3KDM4EALDH1A1IDH1
SCHEMBL7952618 0.78 SMN1; SMN2 (0.42) PTGDR2PDE10AMEN1KMT2AALDH1A1
SCHEMBL591171 0.78 MEN1 (0.36) PDE10AMEN1KMT2ACYP3A4CYP2C9
SCHEMBL22559358 0.78 MEN1 (0.36) PDE10AMEN1KMT2ACYP3A4CYP2C9
SCHEMBL18468618 0.77 CYP3A4 (0.37) PDE10AMEN1KMT2AKDM4EALDH1A1
SCHEMBL27718315 0.75 KDM4E (0.38) DRD2DRD3KDM4EALDH1A1IDH1

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-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-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 (2 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-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK DRD2 3427/4885DRD3 3544/4885PTGDR2 2107/4885
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK DRD2 3427/4885DRD3 3544/4885PTGDR2 2107/4885

“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.

Send feedback