SCHEMBL20249139

SCHEMBL20249139

CC1(C)CN(Cc2ccc(C(C)(C)C)nc2)CCN1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.37
CCR9 P51686 3/20 0.35
PPARD Q03181 1/20 0.35
MGLL Q99685 1/20 0.34
MOGAT2 Q3SYC2 4/20 0.33
RET P07949 1/20 0.33
CXCR4 P61073 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
FGFR3 P22607 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
SCHEMBL20249140 0.86 IDH1 (0.38) IDH1CCR9PPARDMGLLMOGAT2
SCHEMBL18291555 0.83 IDH1 (0.38) IDH1CXCR4MEN1KMT2AATM
SCHEMBL3318612 0.82 IDH1 (0.38) IDH1CXCR4MEN1KMT2AATM
SCHEMBL20037858 0.82 IDH1 (0.38) IDH1CXCR4MEN1KMT2AATM
SCHEMBL20224126 0.81 CXCR4 (0.49) PPARDCXCR4MEN1KMT2A
SCHEMBL3318608 0.78 HRH3 (0.41) IDH1MEN1KMT2AATMFGFR3
SCHEMBL20249264 0.76 CXCR4 (0.58) CXCR4MEN1KMT2A
SCHEMBL12673217 0.76 HRH3 (0.50) PPARD
SCHEMBL14747471 0.75 HRH3 (0.53)
SCHEMBL26351870 0.75 HRH3 (0.53)

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
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 IDH1 147/4885CCR9 2183/4885PPARD 260/4885

“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.