SCHEMBL1552827

SCHEMBL1552827

N=C(N)Nc1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.47
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ROCK2 O75116 4/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
ROCK1 Q13464 2/20 0.43
PRKD2 Q9BZL6 2/20 0.43
CIT O14578 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKACA P17612 1/20 0.43
CSNK2A2 P19784 1/20 0.43
MARK3 P27448 1/20 0.43

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
Bromide SCHEMBL6559050 0.98 AURKA (0.46) AURKANPC1LMNACYP1A2CYP3A4
SCHEMBL1553844 0.84 HDAC2 (0.47) NPC1LMNACYP1A2CYP3A4HPGD
SCHEMBL14705855 0.84 LMNA (0.48) AURKANPC1LMNACYP1A2CYP3A4
SCHEMBL1554440 0.83 ROCK2 (0.52) AURKANPC1LMNACYP1A2CYP3A4
SCHEMBL6559068 0.83 DHPS (0.48) AURKANPC1LMNACYP1A2CYP3A4
SCHEMBL1554431 0.83 ROCK2 (0.52) AURKANPC1LMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6560004 0.82 HDAC2 (0.46) NPC1LMNACYP1A2CYP3A4HPGD
Hydrochloric Acid SCHEMBL6559966 0.82 ROCK2 (0.52) AURKANPC1LMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6559987 0.82 ROCK2 (0.52) AURKANPC1LMNACYP1A2CYP3A4
SCHEMBL4768894 0.81 AURKA (0.57) AURKANPC1LMNACYP1A2CYP3A4

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 63 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
CN-1351504-A Prophylactic and therapeutic agent for interstitial pneumonia and pulmonary fibrosis YOSHITOMI PHARMACEUTICAL (JP) 2002-05-29 CN 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
CN-1233188-A Medicines comprising Rho kinase inhibitor YOSHITOMI PHARMACEUTICAL (JP) 1999-10-27 CN 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 AURKA 1916/4885NPC1 4035/4885LMNA 591/4885
US-20020032148-A1 Pharmaceutical agent containing Rho kinase inhibitor ROCK1, RHOA, ARHGDIA AURKA 1023/4885NPC1 2258/4885LMNA 2170/4885

“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.