SCHEMBL4139039

SCHEMBL4139039

CSc1cc(-c2ccccc2)cc2c1ncc1cccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
KDM4E B2RXH2 9/20 0.49
MAPT P10636 7/20 0.49
TDP1 Q9NUW8 2/20 0.49
CHEK1 O14757 1/20 0.49
LIMK1 P53667 1/20 0.49
MAPK14 Q16539 1/20 0.49
HPGD P15428 6/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
RAB9A P51151 6/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPK1 P28482 3/20 0.41
NPC1 O15118 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
AKT1 P31749 1/20 0.34

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
SCHEMBL4146649 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTTDP1CHEK1
SCHEMBL4134606 0.80 KDM4E (0.48) ALDH1A1KDM4EMAPTTDP1CHEK1
SCHEMBL4131819 0.76 KDM4E (0.47) ALDH1A1KDM4EMAPTTDP1CHEK1
Hydrochloric Acid SCHEMBL4134795 0.76 KDM4E (0.43) ALDH1A1KDM4EMAPTTDP1CHEK1
SCHEMBL4139197 0.73 KDM4E (0.43) ALDH1A1KDM4EMAPTTDP1CHEK1
SCHEMBL30932453 0.71 KDM4E (0.51) ALDH1A1KDM4EMAPTTDP1CHEK1
SCHEMBL4139069 0.71 KDM4E (0.42) ALDH1A1KDM4EMAPTTDP1CHEK1
SCHEMBL29229082 0.71 KDM4E (0.63) ALDH1A1KDM4EMAPTTDP1CHEK1
SCHEMBL11534549 0.67 KDM4E (1.00) ALDH1A1KDM4EMAPTTDP1CHEK1
SCHEMBL9517014 0.65 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTTDP1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093476-A1 PYRROLO[1,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2009-04-09 US disclosed
EP-1798233-A1 Pyrrolo[1,2-a]quinoxaline derivatives as Adenosine A3 receptor modulators and uses thereof Faust Pharmaceuticals (FR) 2007-06-20 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-20090093476-A1 PYRROLO[1,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF ADORA3, ADORA2A, ADORA1 ALDH1A1 1300/4885KDM4E 3489/4885MAPT 4584/4885

“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.