SCHEMBL20249483

SCHEMBL20249483

CC(C)(C)c1ccc([C@H]2COCCN2)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.40
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
ACVR1 Q04771 1/20 0.35
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
KCNH2 Q12809 1/20 0.34
CTSK P43235 1/20 0.32
MAP4K1 Q92918 2/20 0.32
CNR2 P34972 1/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
CHRNA7 P36544 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
SCHEMBL20249490 1.00 ATR (0.40) ATRPRKACAPRKACGPRKACBACVR1
SCHEMBL20249473 1.00 ATR (0.40) ATRPRKACAPRKACGPRKACBACVR1
SCHEMBL24540921 0.85 TRPV4 (0.39) ATRPRKACAPRKACGPRKACBACVR1
SCHEMBL29761449 0.85 TRPV4 (0.39) ATRPRKACAPRKACGPRKACBACVR1
SCHEMBL17525143 0.85 TRPV4 (0.39) ATRPRKACAPRKACGPRKACBACVR1
SCHEMBL20038413 0.80 ACVR1 (0.41) ATRPRKACAPRKACGPRKACBACVR1
SCHEMBL18291309 0.80 ACVR1 (0.41) ATRPRKACAPRKACGPRKACBACVR1
SCHEMBL20037455 0.77 DRD2 (0.48) ATRPRKACAPRKACGPRKACBACVR1
SCHEMBL20038364 0.77 PRKACA (0.38) ATRPRKACAPRKACGPRKACBACVR1
SCHEMBL30920981 0.77 PRKACA (0.38) ATRPRKACAPRKACGPRKACBACVR1

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 ATR 1836/4885PRKACA 1572/4885PRKACG 2187/4885

“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.