SCHEMBL18790928

SCHEMBL18790928

NN1CCC1c1cc(F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
KDM1B Q8NB78 1/20 0.49
RIPK1 Q13546 5/20 0.39
NTRK1 P04629 5/20 0.38
JAK2 O60674 1/20 0.38
OPRM1 P35372 1/20 0.36
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PIK3C3 Q8NEB9 2/20 0.34
NTRK3 Q16288 1/20 0.34

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
SCHEMBL20016164 0.79 KDM1A (0.44) KDM1AKDM1BRIPK1NTRK1JAK2
SCHEMBL4294177 0.79 KDM1A (0.44) KDM1AKDM1BRIPK1NTRK1JAK2
SCHEMBL17772161 0.76 KDM1A (0.42) KDM1AKDM1BRIPK1NTRK1JAK2
SCHEMBL4104823 0.75 KDM1A (0.41) KDM1AKDM1BRIPK1NTRK1JAK2
SCHEMBL17359922 0.72 NTRK1 (0.44) KDM1AKDM1BNTRK1JAK2OPRM1
SCHEMBL16310668 0.72 NTRK1 (0.44) KDM1AKDM1BNTRK1JAK2OPRM1
SCHEMBL21400027 0.72 CHRNB2 (0.46) NTRK1JAK2NTRK3
SCHEMBL21400030 0.72 CHRNB2 (0.46) NTRK1JAK2NTRK3
SCHEMBL4291250 0.72 CHRNB2 (0.46) NTRK1JAK2NTRK3
SCHEMBL28174506 0.71 OPRM1 (0.49) KDM1AKDM1BNTRK1JAK2OPRM1

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-9796724-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-24 US disclosed
US-20170114069-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-27 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-20170114069-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK KDM1A 2479/4885KDM1B 3219/4885RIPK1 319/4885

“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.