SCHEMBL20148625

SCHEMBL20148625

Cc1cc(CN2C3CC2CN(C(C)(C)C)C3)ccn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.42
SIGMAR1 Q99720 1/20 0.32
HCRTR2 O43614 1/20 0.32
UHRF1 Q96T88 1/20 0.32
KCNQ2 O43526 1/20 0.32
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
PDE2A O00408 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
WDR5 P61964 1/20 0.30

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
SCHEMBL20148655 0.85 RET (0.35) RETSIGMAR1CHRM2CHRM4CHRM5
SCHEMBL22031260 0.85 RET (0.44) RETSIGMAR1HCRTR2UHRF1KCNQ2
SCHEMBL20148621 0.83 RET (0.38) RETMEN1KMT2A
SCHEMBL20149592 0.81 RET (0.41) RETSIGMAR1HCRTR2UHRF1KCNQ2
SCHEMBL20148620 0.80 RET (0.41) RETMEN1KMT2A
SCHEMBL20148662 0.77 CHKA (0.48) RETHCRTR2
SCHEMBL20148626 0.74 ALDH1A1 (0.45) GAAATMMEN1KMT2A
SCHEMBL20148619 0.74 RET (0.41) RET
SCHEMBL20148615 0.74 CHRNB2 (0.44) RET
SCHEMBL20682208 0.74 DRD4 (0.42) SIGMAR1CHRM2CHRM4CHRM5

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 3 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
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 1/4885SIGMAR1 3863/4885HCRTR2 3399/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885SIGMAR1 3863/4885HCRTR2 3399/4885

“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.