SCHEMBL2646849

SCHEMBL2646849

Clc1nn2c(-c3ccccc3)nnc2cc1C1CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.54
GABRG2 P18507 6/20 0.54
GABRB3 P28472 6/20 0.54
GABRA3 P34903 6/20 0.54
GABRA2 P47869 5/20 0.54
PIM1 P11309 6/20 0.46
BRD4 O60885 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
CREBBP Q92793 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JAK2 O60674 1/20 0.40
CDK2 P24941 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
GSK3A P49840 1/20 0.40
CSNK2A1 P68400 1/20 0.40

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
SCHEMBL7960062 0.87 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7978467 0.87 MEN1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6996160 0.84 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6768850 0.83 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6998699 0.81 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6993389 0.81 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7192432 0.80 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2646048 0.78 RXFP1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6994194 0.77 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9690970 0.76 BRD4 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109104-A1 BIVALENT INHIBITORS OF AKT PROTEIN KINASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-12 WO disclosed
WO-2008109104-A1 BIVALENT INHIBITORS OF AKT PROTEIN KINASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-12 WO disclosed
US-7098208-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2006-08-29 US disclosed
US-20060142178-A1 Method of treating cancer BARNETT STANLEY F 2006-06-29 US disclosed
US-20060030564-A1 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. 2006-02-09 US disclosed
US-6958334-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2005-10-25 US disclosed
EP-1496981-A2 METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2005-01-19 EP disclosed
US-20040122012-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2004-06-24 US disclosed
US-20040116433-A1 Triazolo[4,3b]pyridazine to inhibit activity of serine/threonine protein kinases tor treatment of cancer with administering OWENS ANDREW PATE (GB) 2004-06-17 US disclosed
US-20040106540-A1 Method of treating cancer BARNETT STANLEY F (US) 2004-06-03 US disclosed
WO-2003084473-A2 METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2003-10-16 WO disclosed
EP-1049697-B1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-09-17 EP disclosed
WO-2002083139-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2002-10-24 WO disclosed
WO-2002083140-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2002-10-24 WO disclosed
US-6355798-B1 LIGANDS FOR GAMMA-AMINOBUTYRIC ACID RECEPTORS; ANTICONVULSANTS, ANXIOLYTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2002-03-12 US disclosed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US disclosed
EP-1049697-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-11-08 EP disclosed
WO-1999037645-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 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 (4 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-20060142178-A1 Method of treating cancer PACSIN2, CTTN, TNK2 GABRA1 4046/4885GABRG2 3417/4885GABRB3 2919/4885
US-20060030564-A1 Inhibitors of Akt activity AKT2, AKT1, PLK1 GABRA1 4623/4885GABRG2 4432/4885GABRB3 4439/4885
US-20040122012-A1 Inhibitors of akt activity PIK3CD, AKT2, PIK3CA GABRA1 3397/4885GABRG2 3472/4885GABRB3 3248/4885
US-20040106540-A1 Method of treating cancer PACSIN2, CTTN, PLK1 GABRA1 4046/4885GABRG2 3403/4885GABRB3 2981/4885

“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.