SCHEMBL4582237

SCHEMBL4582237

[CH2]c1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 10/20 0.61
AKT1 P31749 7/20 0.61
ROCK2 O75116 3/20 0.46
ACVR1 Q04771 1/20 0.44
AKT3 Q9Y243 3/20 0.42
PRKACA P17612 2/20 0.42
PRKCD Q05655 2/20 0.42
ROCK1 Q13464 2/20 0.42
RPS6KA5 O75582 1/20 0.42
RPS6KA4 O75676 1/20 0.42
LATS1 O95835 1/20 0.42
PRKACB P22694 1/20 0.42
RPS6KB1 P23443 1/20 0.42
GRK2 P25098 1/20 0.42
RPS6KA3 P51812 1/20 0.42
RPS6KA2 Q15349 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
SGK3 Q96BR1 1/20 0.42

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
SCHEMBL16432987 0.88 AKT2 (0.76) AKT2AKT1ROCK2ACVR1AKT3
SCHEMBL15689115 0.88 AKT2 (0.76) AKT2AKT1ROCK2ACVR1AKT3
SCHEMBL3740850 0.80 AKT2 (0.70) AKT2AKT1ROCK2ACVR1PIM1
SCHEMBL16872766 0.79 AKT2 (0.95) AKT2AKT1ROCK2PIM1ILK
SCHEMBL15504532 0.77 AKT2 (0.61) AKT2AKT1ROCK2ACVR1PRKCD
SCHEMBL20588075 0.77 AKT2 (0.61) AKT2AKT1ROCK2ACVR1AKT3
SCHEMBL104535 0.77 AKT2 (0.61) AKT2AKT1ROCK2ACVR1ROCK1
SCHEMBL28424886 0.77 AKT2 (0.61) AKT2AKT1ROCK2ACVR1AKT3
SCHEMBL1188308 0.77 AKT2 (0.61) AKT2AKT1ROCK2AKT3PRKACA
SCHEMBL844167 0.77 AKT2 (0.61) AKT2AKT1ROCK2ACVR1PRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11065235-B2 Substituted methanopyrido [2, 1-a] isoindolones as mAChR modulators for treating various associated pathophysiological conditions and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-07-20 US disclosed
EP-3625232-B1 SUBSTITUTED METHANOPYRIDO [2, 1-A]ISOINDOLONES AS MACHR MODULATORS FOR TREATING VARIOUS ASSOCIATED PATHOPHYSIOLOGICAL CONDITIONS AND PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2021-06-23 EP disclosed
US-20200121657-A1 SUBSTITUTED METHANOPYRIDO [2, 1-a] ISOINDOLONES AS mAChR MODULATORS FOR TREATING VARIOUS ASSOCIATED PATHOPHYSIOLOGICAL CONDITIONS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-04-23 US disclosed
EP-3625232-A1 SUBSTITUTED METHANOPYRIDO [2, 1-A]ISOINDOLONESAS MACHR MODULATORS FOR TREATING VARIOUS ASSOCIATED PATHOPHYSIOLOGICAL CONDITIONS AND PROCESS FOR PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2020-03-25 EP disclosed
WO-2018211530-A1 SUBSTITUTED METHANOPYRIDO [2, 1-A] ISOINDOLONESAS MACHR MODULATORS FOR TREATING VARIOUS ASSOCIATED PATHOPHYSIOLOGICAL CONDITIONS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-11-22 WO disclosed
US-9012445-B2 Substituted 4-(1H-pyrazol-4-yl)benzyl analogues as positive allosteric modulators of mAChR M1 receptors VANDERBILT UNIVERSITY (US) 2015-04-21 US disclosed
US-9012445-B2 Substituted 4-(1H-pyrazol-4-yl)benzyl analogues as positive allosteric modulators of mAChR M1 receptors VANDERBILT UNIVERSITY (US) 2015-04-21 US disclosed
US-9012445-B2 Substituted 4-(1H-pyrazol-4-yl)benzyl analogues as positive allosteric modulators of mAChR M1 receptors VANDERBILT UNIVERSITY (US) 2015-04-21 US disclosed
US-20140206676-A1 SUBSTITUTED 4-(1H-PYRAZOL-4-YL)BENZYL ANALOGUES AS POSITIVE ALLOSTERIC MODULATORS OF MACHR M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2014-07-24 US disclosed
US-20140206676-A1 SUBSTITUTED 4-(1H-PYRAZOL-4-YL)BENZYL ANALOGUES AS POSITIVE ALLOSTERIC MODULATORS OF MACHR M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2014-07-24 US disclosed
WO-2013106795-A1 SUBSTITUTED 4-(1H~PYRAZOL-4.YL)BENZYL ANALOGUES AS POSITIVE ALLOSTERIC MODULATORS OF MACHR M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-07-18 WO disclosed
WO-2013106795-A1 SUBSTITUTED 4-(1H~PYRAZOL-4.YL)BENZYL ANALOGUES AS POSITIVE ALLOSTERIC MODULATORS OF MACHR M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-07-18 WO disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB AKT2 94/4885AKT1 36/4885ROCK2 295/4885
US-20140206676-A1 SUBSTITUTED 4-(1H-PYRAZOL-4-YL)BENZYL ANALOGUES AS POSITIVE ALLOSTERIC MODULATORS OF MACHR M1 RECEPTORS CHRM1, CHRM4, CHRM5 AKT2 3203/4885AKT1 2199/4885ROCK2 1452/4885
US-20200121657-A1 SUBSTITUTED METHANOPYRIDO [2, 1-a] ISOINDOLONES AS mAChR MODULATORS FOR TREATING VARIOUS ASSOCIATED PATHOPHYSIOLOGICAL CONDITIONS AND PROCESS FOR PREPARATION THEREOF CHRM3, CHRM5, ADRB1 AKT2 4311/4885AKT1 4096/4885ROCK2 1817/4885
US-11065235-B2 Substituted methanopyrido [2, 1-a] isoindolones as mAChR modulators for treating various associated pathophysiological conditions and process for preparation thereof CHRM1, CHRM3, CHRM5 AKT2 4312/4885AKT1 4035/4885ROCK2 1728/4885

“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.