SCHEMBL6992336

SCHEMBL6992336

C[C@@H](Nc1ncnc2ccc(N)cc12)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.70
NR2F2 P24468 1/20 0.70
EGFR P00533 14/20 0.63
KRAS P01116 1/20 0.63
SOS1 Q07889 1/20 0.63
LMNA P02545 1/20 0.58
DYRK1A Q13627 2/20 0.56
PIK3CA P42336 1/20 0.56
TNF P01375 1/20 0.53
RAB9A P51151 1/20 0.53
NOD1 Q9Y239 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL3000657 1.00 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL157422 0.89 GALR3 (0.56) GALR3NR2F2EGFRKRASSOS1
SCHEMBL31505701 0.85 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL31505705 0.85 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL13283262 0.85 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL24577013 0.84 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL9921344 0.84 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL24576524 0.84 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL13170943 0.84 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1
SCHEMBL644489 0.84 GALR3 (0.70) GALR3NR2F2EGFRKRASSOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653305-B2 For therapy of tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-11-25 US disclosed
EP-1315717-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2003-06-04 EP disclosed
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-20 US disclosed
WO-2002018373-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 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-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, CYP11B2 GALR3 1425/4885NR2F2 1096/4885EGFR 417/4885

“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.