SCHEMBL2652791

SCHEMBL2652791

COc1ccc(N)cc1-c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.55
MKNK2 Q9HBH9 3/20 0.55
CYP11B1 P15538 5/20 0.54
CYP11B2 P19099 5/20 0.54
CYP19A1 P11511 4/20 0.54
CYP17A1 P05093 2/20 0.54
MEN1 O00255 1/20 0.51
PSIP1 O75475 1/20 0.51
AXL P30530 1/20 0.51
PDE10A Q9Y233 1/20 0.51
NPC1 O15118 3/20 0.49
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NTRK1 P04629 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KLK3 P07288 2/20 0.48
CYP3A4 P08684 2/20 0.48
F12 P00748 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL21076869 0.88 MKNK1 (0.66) MKNK1MKNK2CYP11B1CYP11B2CYP19A1
SCHEMBL8165131 0.83 CYP11B2 (0.61) MKNK1MKNK2CYP11B1CYP11B2CYP19A1
SCHEMBL14003313 0.83 CYP11B1 (0.55) MKNK1MKNK2CYP11B1CYP11B2CYP19A1
SCHEMBL29775388 0.83 CYP11B2 (0.61) MKNK1MKNK2CYP11B1CYP11B2CYP19A1
SCHEMBL6754255 0.82 NTRK1 (0.49) CYP11B1CYP11B2CYP17A1KDM4ENTRK1
SCHEMBL28118939 0.81 CYP11B1 (0.61) MKNK1MKNK2CYP11B1CYP11B2CYP19A1
SCHEMBL6217515 0.81 CYP11B1 (0.54) MKNK1MKNK2CYP11B1CYP11B2CYP19A1
SCHEMBL28225240 0.80 MKNK1 (0.60) MKNK1MKNK2CYP11B1CYP11B2CYP19A1
SCHEMBL7376120 0.80 MAPT (0.47) MKNK1MKNK2CYP11B1CYP11B2AXL
SCHEMBL654302 0.80 PTGDR2 (0.57) KDM4ENTRK1MAPK1KDM4C

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 11 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-20030105139-A1 Indole derivatives as 5-HT receptor antagonist SMITHKLINE BEECHAM P.L.C. 2003-06-05 US 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
US-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0808312-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-11-26 EP disclosed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 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 (2 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 MKNK1 2758/4885MKNK2 3021/4885CYP11B1 1108/4885
US-20030105139-A1 Indole derivatives as 5-HT receptor antagonist HTR5A, HTR2C, HTR1A MKNK1 676/4885MKNK2 522/4885CYP11B1 929/4885

“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.