SCHEMBL1404499

SCHEMBL1404499

Clc1[c]ccc(-c2cn[nH]c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.46
AKT2 P31751 8/20 0.46
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ACVR1 Q04771 1/20 0.38
AKT3 Q9Y243 3/20 0.37
PRKACA P17612 2/20 0.37
PRKCD Q05655 2/20 0.37
ROCK2 O75116 2/20 0.37
RPS6KA5 O75582 1/20 0.37
RPS6KA4 O75676 1/20 0.37
LATS1 O95835 1/20 0.37
PRKACB P22694 1/20 0.37
RPS6KB1 P23443 1/20 0.37
GRK2 P25098 1/20 0.37
RPS6KA3 P51812 1/20 0.37
ROCK1 Q13464 1/20 0.37
RPS6KA2 Q15349 1/20 0.37
RPS6KA1 Q15418 1/20 0.37

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
SCHEMBL3716570 0.79 AKT2 (0.46) AKT1AKT2PIM1PIM3PIM2
SCHEMBL5584076 0.78 AHR (0.35)
SCHEMBL3808241 0.76 AKT2 (0.43) AKT1AKT2PIM1PIM3PIM2
SCHEMBL197153 0.72 AKT2 (0.61) AKT1AKT2PIM1PIM3PIM2
SCHEMBL17494104 0.72 AHR (0.56) AKT1AKT2PIM1PIM3PIM2
SCHEMBL3803880 0.71 ROCK2 (0.39) AKT1AKT2PIM1PIM3PIM2
SCHEMBL3740850 0.71 AKT2 (0.70) AKT1AKT2PIM1PIM3PIM2
SCHEMBL23804742 0.70 AKT2 (0.59) AKT1AKT2ROCK2ROCK1
SCHEMBL30424015 0.70 AKT2 (0.71) AKT1AKT2PIM1PIM3PIM2
SCHEMBL6806233 0.70

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
US-7999107-B2 Psychological disorders; cognition activators; Alzheimer's disease; headaches; nervous system antiinflammatory agents; antiepileptic agents; Parkinson's disease; Huntington's disease; schizophrenia; eating disorders MERCK SHARP & DOHME CORP. (US) 2011-08-16 US disclosed
EP-2109615-B1 SUBSTITUTED PYRANO [2, 3 - B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-03-09 EP disclosed
US-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-11 US disclosed
EP-2139332-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 EP disclosed
EP-2109615-A1 SUBSTITUTED PYRANO [2, 3 - B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-10-21 EP disclosed
WO-2008121257-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-09 WO disclosed
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-08-28 US disclosed
WO-2008094476-A1 SUBSTITUTED PYRANO [2, 3 - B] PYRIDINE DERIVATIVES AS CANNABINOID -1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-08-07 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 (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-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH AKT1 4394/4885AKT2 4611/4885PIM1 4590/4885
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH AKT1 3931/4885AKT2 4533/4885PIM1 4432/4885

“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.