SCHEMBL2651589

SCHEMBL2651589

Nc1ccc(F)c(-c2cnccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.48
FEN1 P39748 4/20 0.48
PIM1 P11309 2/20 0.41
MAP4K4 O95819 1/20 0.40
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
HSP90AA1 P07900 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CASP6 P55212 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
KDM1A O60341 2/20 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
SCHEMBL21044403 0.86 FEN1 (0.57) ALOX5APFEN1PIM1PIM3PIM2
SCHEMBL25393299 0.79 PLA2G7 (0.41) ALOX5APFEN1PIM1PIK3CDPIK3CA
SCHEMBL2652043 0.79 ALOX5AP (0.42) ALOX5APFEN1PIM1NPC1RAB9A
SCHEMBL30599164 0.79 PLA2G7 (0.41) ALOX5APFEN1PIM1PIK3CDPIK3CA
SCHEMBL2647830 0.77 KDM1A (0.47) MAP4K4HSP90AA1NPC1RAB9AKDM1A
SCHEMBL30429976 0.77 KDM1A (0.47) MAP4K4HSP90AA1NPC1RAB9AKDM1A
SCHEMBL5243501 0.76 NPC1 (0.45) ALOX5APFEN1PIM1PIM3PIM2
SCHEMBL2650530 0.76 MAP4K4 (0.43) MAP4K4CCNT1CDK9HSP90AA1CASP6
SCHEMBL2403919 0.76 KDM1A (0.50) PIM1NPC1RAB9AKDM1A
SCHEMBL2648986 0.75 NUDT1 (0.45) MAP4K4CCNT1CDK9BRD4ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 ALOX5AP 3976/4885FEN1 2493/4885PIM1 3151/4885

“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.