SCHEMBL4531381

SCHEMBL4531381

Fc1ccc(-c2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 5/20 0.53
MKNK1 Q9BUB5 2/20 0.53
MAPT P10636 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2D6 P10635 3/20 0.49
USP2 O75604 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48
DYRK1A Q13627 4/20 0.47
CLK4 Q9HAZ1 3/20 0.47
CYP2C19 P33261 2/20 0.47
CLK1 P49759 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
CLK2 P49760 1/20 0.47

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
SCHEMBL4519916 0.84 ULK1 (0.48) MAPTCYP1A2CYP3A4CYP2D6USP2
SCHEMBL4522493 0.79 ADORA3 (0.52) MAPTCYP1A2CYP3A4CYP2D6USP2
SCHEMBL6001206 0.73 KMT2A (0.54) MAPTCYP1A2CYP3A4CYP2D6USP2
SCHEMBL30126466 0.73 EGFR (0.58) MKNK2MAPTKDM4EDYRK1ADYRK1B
SCHEMBL7465236 0.72 EGFR (0.58) MAPTCYP1A2CYP3A4CYP2D6USP2
SCHEMBL6001170 0.71 LMNA (0.77) MAPTCYP1A2CYP3A4CYP2D6USP2
SCHEMBL14627244 0.70 RAF1 (0.64) MAPTCYP1A2CYP3A4CYP2D6USP2
SCHEMBL6001965 0.70 ACP1 (0.61) MAPTCYP1A2CYP3A4CYP2D6USP2
SCHEMBL5564677 0.69 KDM4E (0.66) MAPTCYP1A2CYP3A4CYP2D6USP2
SCHEMBL5568094 0.69 PDE5A (0.66) MAPTCYP1A2CYP3A4CYP2D6USP2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US claimed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 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 (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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO MKNK2 3478/4885MKNK1 3850/4885MAPT 2859/4885

“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.