SCHEMBL2645337

SCHEMBL2645337

CO[C](C#N)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 6/20 0.49
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PKM P14618 3/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ATM Q13315 1/20 0.47
EGFR P00533 2/20 0.46
IGF1R P08069 2/20 0.46
IGF2R P11717 2/20 0.46
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45

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
SCHEMBL5640995 0.74 ALDH1A1 (0.54) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL11254426 0.74 RAB9A (0.44) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL11254427 0.74 RAB9A (0.44) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL7970278 0.74 KDM4E (0.43) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL7970282 0.74 KDM4E (0.43) RAB9AKDM4EALDH1A1NPC1MAPT
Water SCHEMBL27868581 0.73 KDM4E (0.66) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL4378933 0.72 ALDH1A1 (0.57) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL10638794 0.72 RAB9A (0.67) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL12588769 0.72 ALDH1A1 (0.58) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL22969900 0.71 MAPT (0.52) RAB9AKDM4EALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121361-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2007-08-29 EP disclosed
US-6872720-B2 Pyrazolo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. 2005-03-29 US disclosed
US-20030060467-A1 Pyrazolo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-03-27 US disclosed
EP-1282623-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-02-12 EP disclosed
US-6476030-B1 Pyrazolo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2002-11-05 US disclosed
WO-2001077111-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-10-18 WO disclosed
EP-1121361-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS Merck Sharp & Dohme Limited (GB) 2001-08-08 EP disclosed
WO-2000023449-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-04-27 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-20030060467-A1 Pyrazolo-triazine derivatives as ligands for gaba receptors GABRA5, GABRA3, GABRA4 RAB9A 2760/4885KDM4E 2798/4885ALDH1A1 1121/4885

“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.