SCHEMBL20153211

SCHEMBL20153211

CC(C)(C)N1CC2CC(C1)N2Cc1ncccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 13/20 0.48
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
SSTR4 P31391 1/20 0.34
DPP4 P27487 1/20 0.33
KCNH2 Q12809 1/20 0.33
ADRA1A P35348 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 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
SCHEMBL22031270 0.86 RET (0.46) RETTNKSPARP1TNKS2SSTR4
SCHEMBL20154574 0.83 RET (0.44) RETTNKSPARP1TNKS2DPP4
SCHEMBL20148633 0.81 RET (0.43) RETTNKSPARP1TNKS2SSTR4
SCHEMBL20148640 0.76 RET (0.36) RET
SCHEMBL20148624 0.74 LMNA (0.41) RETKCNH2
SCHEMBL20153269 0.72 RET (0.42) RETTNKSPARP1TNKS2KCNH2
SCHEMBL20148667 0.72 RET (0.47) RET
SCHEMBL20148662 0.71 CHKA (0.48) RETKCNH2
SCHEMBL20148615 0.70 CHRNB2 (0.44) RETKCNH2
SCHEMBL20148653 0.70 RET (0.46) RET

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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885TNKS 2017/4885PARP1 2894/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885TNKS 2017/4885PARP1 2894/4885

“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.