SCHEMBL21651997

SCHEMBL21651997

COc1ncc(F)cc1C(=O)NC1(C)CCN(S)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.46
GPR6 P46095 4/20 0.41
NTRK1 P04629 4/20 0.40
JAK2 O60674 3/20 0.40
USP30 Q70CQ3 1/20 0.37
MAP3K5 Q99683 1/20 0.37
CCR3 P51677 1/20 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
SCHEMBL20070357 0.90 RET (0.47) RETGPR6NTRK1JAK2USP30
SCHEMBL20147636 0.87 RET (0.45) RETGPR6NTRK1JAK2USP30
SCHEMBL20205997 0.74 RET (0.49) RETCCR3
SCHEMBL20205891 0.72 CACNA1H (0.39) RETCCR3
SCHEMBL30989887 0.72 HDAC3 (0.48) RETGPR6MAP3K5
SCHEMBL20206057 0.71 RET (0.44) RET
SCHEMBL20206018 0.71 EGLN1 (0.46) RET
SCHEMBL1891278 0.70 OPRK1 (0.46) GPR6MAP3K5
SCHEMBL1881949 0.68 POLB (0.42) GPR6MAP3K5
SCHEMBL30082715 0.68 POLB (0.42) GPR6MAP3K5

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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-12-10 US disclosed
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-01-30 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 (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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885GPR6 1567/4885NTRK1 381/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885GPR6 1567/4885NTRK1 381/4885

“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.