SCHEMBL1553879

SCHEMBL1553879

CC(C)N1CCC(C(=O)Nc2ccncc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.66
ROCK1 Q13464 4/20 0.66
PKN2 Q16513 3/20 0.63
RPS6KA5 O75582 2/20 0.63
LRRK2 Q5S007 2/20 0.63
TP53 P04637 2/20 0.63
CYP3A4 P08684 2/20 0.63
TSHR P16473 2/20 0.63
CHUK O15111 1/20 0.63
PRKD3 O94806 1/20 0.63
CDK1 P06493 1/20 0.63
CDK2 P24941 1/20 0.63
LTK P29376 1/20 0.63
CDK8 P49336 1/20 0.63
PRKX P51817 1/20 0.63
CDK5 Q00535 1/20 0.63
PRKCQ Q04759 1/20 0.63
PRKCD Q05655 1/20 0.63
STK3 Q13188 1/20 0.63
PRKG2 Q13237 1/20 0.63

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
SCHEMBL16800289 0.85 ALDH1A1 (0.66) GLAKMT2AMEN1PTPN1ALDH1A1
SCHEMBL1553445 0.84 ROCK2 (0.62) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL2467822 0.81 NAMPT (0.67) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL30828553 0.81 ROCK2 (0.76) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL7520976 0.81 ROCK2 (0.76) ROCK2ROCK1PKN2RPS6KA5LRRK2
Hydrochloric Acid SCHEMBL27545321 0.80 ROCK2 (0.73) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL13006873 0.80 ALDH1A1 (0.58) TSHRMAPK1KMT2ANAMPTALDH1A1
SCHEMBL14492963 0.79 ROCK2 (1.00) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL26318537 0.79 ROCK2 (1.00) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL1552919 0.78 TDP1 (0.61) ROCK2ROCK1PKN2RPS6KA5LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP claimed
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad 2016-06-30 US claimed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO claimed
EP-3039126-B1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2019-10-09 EP disclosed
US-9982231-B2 Methods for reprogramming differentiated non-cardiac cells into cardiomyocytes THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2018-05-29 US disclosed
US-20160250260-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-01 US disclosed
EP-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP disclosed
EP-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 EP disclosed
US-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad 2016-06-30 US disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO disclosed
EP-1295607-A1 ANTITUMOR EFFECT POTENTIATORS Mitsubishi Pharma Corporation (JP) 2003-03-26 EP disclosed
US-6451825-B1 FOR THERAPY OF HYPERTENSION, A THERAPEUTIC AGENT OF ANGINA PECTORIS, A SUPPRESSIVE AGENT OF CEREBROVASCULAR CONTRACTION, ASTHMA, PERIPHERAL CIRCULATION DISORDER, AS PROPHYLACTIC AGENT OF IMMATURE BIRTH, A THERAPEUTIC AGENT OF ARTERIOSCLEROSIS MITSUBISHI PHARMA CORPORATION (JP) 2002-09-17 US disclosed
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor MITSUBISHI PHARMA CORPORATION (JP) 2002-03-14 US disclosed
EP-1177796-A1 PREVENTIVES/REMEDIES FOR LIVER DISEASES Mitsubishi Pharma Corporation (JP) 2002-02-06 EP disclosed
EP-1174150-A1 PREVENTIVES/REMEDIES FOR ANGIOSTENOSIS Mitsubishi Pharma Corporation (JP) 2002-01-23 EP disclosed
EP-1163910-A1 PREVENTIVES/REMEDIES FOR INTERSTITIAL PNEUMONIA AND PULMONARY FIBROSIS Welfide Corporation (JP) 2001-12-19 EP disclosed
US-6218410-B1 ADMINISTERING A PHARMACEUTICALLY EFFECTIVE AMOUNT OF A RHO KINASE INHIBITOR COMPRISING AMIDE COMPOUND FOR INHIBITING RHO KINASE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
EP-1034793-A1 PREVENTIVES/REMEDIES FOR GLAUCOMA Senju Pharmaceutical Co., Ltd. (JP) 2000-09-13 EP disclosed
EP-0956865-A1 MEDICINES COMPRISING Rho KINASE INHIBITOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-11-17 EP 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-20160186141-A1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE CARDIOMYOCYTES MYLK2, TNNI3, TNNT2 ROCK2 90/4885ROCK1 186/4885PKN2 1630/4885
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA ROCK2 4/4885ROCK1 1/4885PKN2 802/4885

“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.