SCHEMBL20249405

SCHEMBL20249405

Cn1cncc1-c1ccc(C(C)(C)C)nc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
IDO1 P14902 3/20 0.44
LDLR P01130 1/20 0.41
PCSK9 Q8NBP7 1/20 0.41
GSK3B P49841 11/20 0.41
DYRK1A Q13627 11/20 0.41
WNT1 P04628 3/20 0.36
GPR119 Q8TDV5 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34

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
SCHEMBL19064527 0.85 HPGDS (0.50) HPGDSIDO1LDLRPCSK9GSK3B
SCHEMBL22845306 0.77 IDO1 (0.47) HPGDSIDO1LDLRPCSK9GSK3B
SCHEMBL4022684 0.76 HPGDS (0.54) HPGDSIDO1LDLRPCSK9GSK3B
SCHEMBL20255466 0.76 HPGDS (0.54) HPGDSIDO1LDLRPCSK9GSK3B
SCHEMBL6408857 0.76 IDO1 (0.54) HPGDSIDO1LDLRPCSK9GSK3B
SCHEMBL14327688 0.75 KIF11 (0.38) CLK2
SCHEMBL1502339 0.74 IDO1 (0.51) HPGDSIDO1LDLRPCSK9GSK3B
SCHEMBL13728605 0.73 HPGDS (0.51) HPGDSIDO1LDLRPCSK9GSK3B
Ammonia Solution, Strong SCHEMBL28862527 0.73 IDO1 (0.50) HPGDSIDO1LDLRPCSK9GSK3B
SCHEMBL10154082 0.72 IDO1 (0.46) HPGDSIDO1LDLRPCSK9GSK3B

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 HPGDS 1953/4885IDO1 2481/4885LDLR 4336/4885

“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.