SCHEMBL20877797

SCHEMBL20877797

CC(C)c1cc(F)cc(OCCN2CCOCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.50
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SCN1A P35498 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ SCN2A Q99250 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ SCN3A Q9NY46 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL17562439 0.88 KDM4E (0.63) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12943762 0.82 POLB (0.57) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL12120788 0.82 MEN1 (0.52) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL10223315 0.80 MEN1 (0.62) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL4306311 0.80 NPC1 (0.49) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL104326 0.79 MEN1 (0.70) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL4100620 0.79 NPC1 (0.48) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL19224090 0.77 MEN1 (0.57) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5422932 0.77 MEN1 (0.57) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL4106130 0.77 SIGMAR1 (0.46) MEN1KMT2AKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10251889-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors Array BioPharm Inc. (US) 2019-04-09 — — 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-10251889-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors TXK, FRK, LTK MEN1 3860/4885KMT2A 3132/4885KDM4E 2167/4885

“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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