Sugi Predict

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SCHEMBL2586616

SCHEMBL2586616

COc1cccc(-c2nc(-c3ccccc3)c3ncc(-c4cccnc4)cc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.51
▸ CYP3A4 P08684 7/20 0.51
▸ CYP2D6 P10635 6/20 0.51
▸ CYP2C19 P33261 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ CYP2C9 P11712 4/20 0.51
▸ TP53 P04637 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CLK4 Q9HAZ1 4/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ ABCG2 Q9UNQ0 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ USP2 O75604 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ ABCB1 P08183 1/20 0.51
▸ CYP2B6 P20813 2/20 0.48

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
SCHEMBL12179647 0.88 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL12179653 0.86 PDGFRB (0.52) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL14904343 0.86 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL12179677 0.83 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL14904350 0.83 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL12179648 0.82 KDR (0.46) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL12179457 0.82 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL12179649 0.82 ADORA2A (0.48) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL14891297 0.82 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL14904351 0.81 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109693-A1 DERIVATIVES OF PYRIDO [3,2-D] PYRIMIDINE, METHODS FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2013-05-02 — — US disclosed
US-20130109693-A1 DERIVATIVES OF PYRIDO [3,2-D] PYRIMIDINE, METHODS FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2013-05-02 — — US disclosed
US-20130109693-A1 DERIVATIVES OF PYRIDO [3,2-D] PYRIMIDINE, METHODS FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2013-05-02 — — US disclosed
WO-2011135259-A1 PYRIDO[3,2-D]PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING SAME AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2011-11-03 — — WO disclosed
WO-2011135259-A1 PYRIDO[3,2-D]PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING SAME AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2011-11-03 — — 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-20130109693-A1 DERIVATIVES OF PYRIDO [3,2-D] PYRIMIDINE, METHODS FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, CYP2D6, TYMS CYP1A2 36/4885CYP3A4 45/4885CYP2D6 2/4885

“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.