Sugi Predict

Sugi Predict / Compounds / SCHEMBL2590879

SCHEMBL2590879

SCHEMBL2590879

COc1cccc(-c2nc(-c3ccccc3)c3ncc(-c4csc5ccccc45)cc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 12/20 0.48
▸ CYP3A4 P08684 12/20 0.48
▸ CYP2C9 P11712 4/20 0.48
▸ CYP2B6 P20813 2/20 0.48
▸ AHR P35869 2/20 0.48
▸ NR1I3 Q14994 2/20 0.48
▸ VDR P11473 1/20 0.48
▸ CYP2D6 P10635 11/20 0.46
▸ CYP2C19 P33261 8/20 0.46
▸ MAPK1 P28482 7/20 0.46
▸ USP2 O75604 6/20 0.46
▸ CLK4 Q9HAZ1 6/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ ABCG2 Q9UNQ0 5/20 0.44
▸ MAPT P10636 3/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ABCB1 P08183 2/20 0.44
▸ TSHR P16473 7/20 0.43
▸ LMNA P02545 5/20 0.43

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
SCHEMBL14891297 0.85 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2B6AHR
SCHEMBL2590875 0.80 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C9CYP2B6AHR
SCHEMBL12179647 0.80 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9CYP2B6AHR
SCHEMBL12179678 0.80 MAPK1 (0.51) CYP1A2CYP3A4CYP2C9CYP2B6AHR
SCHEMBL12179653 0.79 PDGFRB (0.52) CYP1A2CYP3A4CYP2C9CYP2B6AHR
SCHEMBL14904343 0.79 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2B6AHR
SCHEMBL14904350 0.78 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2B6AHR
SCHEMBL2586616 0.78 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9CYP2B6AHR
SCHEMBL12179457 0.77 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9CYP2B6AHR
SCHEMBL12179649 0.77 ADORA2A (0.48) CYP1A2CYP3A4CYP2C9CYP2B6AHR

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 45/4885CYP2C9 17/4885

“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.