SCHEMBL20249358

SCHEMBL20249358

CC(C)(C)c1ccc(CN2CCN(C3COC3)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 6/20 0.42
PPARD Q03181 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NAMPT P43490 1/20 0.37
RET P07949 1/20 0.36
TSHR P16473 1/20 0.36
DCTPP1 Q9H773 1/20 0.35
TEAD1 P28347 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL2739651 0.81 HRH3 (0.51) PPARD
SCHEMBL20255452 0.80 TRPV6 (0.44) TRPV6PDCD1LG2CD274MEN1KMT2A
SCHEMBL20037713 0.80 MTOR (0.45) TRPV6PDCD1LG2CD274MEN1KMT2A
SCHEMBL20249249 0.80 PPARD (0.43) PPARDKMT2ATEAD1
SCHEMBL21671916 0.80 KCNH2 (0.51) TRPV6PDCD1LG2CD274MEN1KMT2A
SCHEMBL20804010 0.80 TRPV6 (0.42) TRPV6PDCD1LG2CD274MEN1KMT2A
SCHEMBL10223577 0.79 LMNA (0.50) PPARD
SCHEMBL18713020 0.79 ALDH1A1 (0.56) PPARDMEN1KMT2AATMRET
SCHEMBL12673217 0.79 HRH3 (0.50) PPARD
SCHEMBL25712667 0.78 PPARD (0.44) TRPV6PPARDMEN1KMT2AATM

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 TRPV6 1378/4885PPARD 260/4885PDCD1LG2 830/4885

“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.