Sugi Predict

Sugi Predict / Compounds / SCHEMBL4022684

SCHEMBL4022684

SCHEMBL4022684

Cn1cncc1-c1ccc(N)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.54
▸ IDO1 P14902 3/20 0.46
▸ PIK3CD O00329 2/20 0.43
▸ LDLR P01130 1/20 0.43
▸ PCSK9 Q8NBP7 1/20 0.43
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ NOS3 P29474 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ GSK3B P49841 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ WNT1 P04628 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL5779888 0.79 IDO1 (0.50) HPGDSIDO1LDLRPCSK9PRMT5
SCHEMBL20255466 0.79 HPGDS (0.54) HPGDSIDO1LDLRPCSK9PRMT5
SCHEMBL6408857 0.79 IDO1 (0.54) HPGDSIDO1PIK3CDLDLRPCSK9
SCHEMBL20916196 0.78 GSK3B (0.55) GSK3BDYRK1AWNT1
SCHEMBL20409162 0.77 ADORA2A (0.38) HPGDSIDO1PIK3CDALDH1A1GAA
SCHEMBL13728605 0.76 HPGDS (0.51) HPGDSIDO1LDLRPCSK9PRMT5
SCHEMBL20249405 0.76 HPGDS (0.51) HPGDSIDO1LDLRPCSK9PRMT5
SCHEMBL19064527 0.75 HPGDS (0.50) HPGDSIDO1PIK3CDLDLRPCSK9
SCHEMBL1502339 0.73 IDO1 (0.51) HPGDSIDO1LDLRPCSK9PRMT5
SCHEMBL30834347 0.73 PDPK1 (0.43) HPGDSIDO1PIK3CDLDLRPCSK9

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 7 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
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 — — WO disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 — — US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 — — US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 — — US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 — — WO disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 — — WO 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 HPGDS 1953/4885IDO1 2481/4885PIK3CD 144/4885
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R HPGDS 3591/4885IDO1 1346/4885PIK3CD 2997/4885

“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.