SCHEMBL2642893

SCHEMBL2642893

Nc1nc(-c2nc3cccnc3s2)nc2ccc(Sc3ncccc3F)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
GLA P06280 4/20 0.36
GAA P10253 3/20 0.36
ATM Q13315 2/20 0.36
PDK1 Q15118 1/20 0.34
MAPT P10636 8/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
ADORA2A P29274 3/20 0.32
ADORA1 P30542 3/20 0.32

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
SCHEMBL2643099 0.81 ADORA2A (0.38) KDM4ERAB9ANPC1GLAGAA
SCHEMBL2642047 0.79 LMNA (0.39) KDM4ERAB9ANPC1PDK1MAPT
SCHEMBL2642164 0.71 GCK (0.42) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL2642307 0.65 KDM4E (0.36) KDM4ENPC1MAPTKMT2ALMNA
SCHEMBL11646035 0.65 POLB (0.57) KDM4ERAB9ANPC1GLAGAA
SCHEMBL2642615 0.64 DRD1 (0.36) KDM4EGAAMAPTKMT2ALMNA
SCHEMBL7666245 0.62 SMN1; SMN2 (0.45) KDM4ERAB9ANPC1GAAATM
SCHEMBL13053004 0.61 PDK1 (0.55) KDM4ERAB9ANPC1GLAGAA
SCHEMBL2642649 0.61 GCK (0.42) RAB9ANPC1POLBSMN1; SMN2
SCHEMBL13310867 0.61 PDK1 (0.58) KDM4ERAB9ANPC1GLAGAA

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 3 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 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 KDM4E 1277/4885RAB9A 1818/4885NPC1 3557/4885

“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.