SCHEMBL2642310

SCHEMBL2642310

Clc1cccnc1Sc1ccc2ncnc(Nc3cc[nH]n3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.43
DYRK1A Q13627 2/20 0.38
EGFR P00533 4/20 0.37
DRD1 P21728 1/20 0.36
KDR P35968 1/20 0.36
CD38 P28907 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ERBB2 P04626 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2642617 0.81 GCK (0.43) GCKDYRK1AEGFRDRD1CD38
SCHEMBL2642441 0.80 GCK (0.65) GCKEGFRDRD1ERBB2
SCHEMBL2660419 0.78 GCK (0.68) GCKDYRK1AEGFRMAPT
SCHEMBL30395595 0.71 FLT1 (0.45) EGFRKDRCD38MAPK1ERBB2
SCHEMBL29058817 0.71 FLT1 (0.45) EGFRKDRCD38MAPK1ERBB2
SCHEMBL4149506 0.71 ABCG2 (0.57) DYRK1AEGFRKDRMAPK1CLK4
SCHEMBL2642307 0.69 KDM4E (0.36) DRD1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8704247 0.67 EGFR (0.63) EGFRKDR
Hydrochloric Acid SCHEMBL7248432 0.66 EGFR (0.64) EGFRKDR
SCHEMBL27529884 0.65 PKM (0.37) DRD1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US claimed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US claimed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP claimed
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP 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-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK GCK 1/4885DYRK1A 343/4885EGFR 3484/4885

“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.