SCHEMBL738237

SCHEMBL738237

COc1cc(C(=O)NC2CCN(C)CC2)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.53
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
LRRK2 Q5S007 2/20 0.52
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
BRD4 O60885 5/20 0.50
MCHR1 Q99705 1/20 0.50
BRDT Q58F21 1/20 0.49
PTK2 Q05397 2/20 0.49
TAF1 P21675 2/20 0.49
KMT2A Q03164 1/20 0.48
TTK P33981 1/20 0.48
EIF2AK3 Q9NZJ5 1/20 0.48
DCLK1 O15075 1/20 0.48
MAPK7 Q13164 1/20 0.48

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
SCHEMBL13880647 0.96 AURKA (0.52) HTR4AURKAAURKBLRRK2ROCK2
SCHEMBL13461288 0.93 SLC6A5 (0.51) HTR4AURKAAURKBLRRK2ROCK2
SCHEMBL13846090 0.93 HTR4 (0.54) HTR4AURKAAURKBLRRK2MCHR1
SCHEMBL13175736 0.93 HTR4 (0.54) HTR4AURKAAURKBLRRK2MCHR1
SCHEMBL3544670 0.93 HTR4 (0.54) HTR4AURKAAURKBLRRK2MCHR1
SCHEMBL2546256 0.90 MAPK14 (0.52) HTR4LRRK2KMT2A
SCHEMBL12893788 0.89 HTR4 (0.48) HTR4AURKAAURKBLRRK2MCHR1
SCHEMBL12894062 0.89 HTR4 (0.48) HTR4AURKAAURKBLRRK2MCHR1
SCHEMBL12825174 0.88 KMT2A (0.57) KMT2A
SCHEMBL1927002 0.88 KMT2A (0.54) HTR4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250145625-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-05-08 US disclosed
EP-4458827-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2024-11-06 EP disclosed
US-RE50082-E1 (5,6-dihydro)pyrimido[4,5-e]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-20 US disclosed
CN-118414337-A Pyrazolopyrimidine derivative and anticancer pharmaceutical composition containing same as active ingredient 韩国化学研究院 2024-07-30 CN disclosed
CN-117043163-A Pyrrolopyrimidine or pyrrolopyridine derivative and medical application thereof 希格生科(深圳)有限公司 2023-11-10 CN disclosed
WO-2023128708-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2023-07-06 WO disclosed
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 US disclosed
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 US disclosed
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 US disclosed
WO-2023036252-A1 PYRROLOPYRIMIDINE OR PYRROLOPYRIDINE DERIVATIVE AND MEDICAL USE THEREOF 希格生科(深圳)有限公司 2023-03-16 WO disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 WO disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 WO disclosed
US-20080177066-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 US disclosed
US-20080177066-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 US disclosed
WO-2008009909-A1 PTERIDIMONES AS MODULATORS OF POLO-LIKE KINASE ASTRAZENECA AB (SE) 2008-01-24 WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US disclosed
WO-2007120752-A2 4, 5-DIHYDRO- [1, 2, 4] TRIAZOLO [4, 3-F] PTERIDINES AS PROTEIN KINASE PLK1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 WO disclosed
WO-2007095188-A2 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-23 WO disclosed
US-20060047118-A1 New pteridinones as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 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 (5 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-20250145625-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT DPYD, TP53, WASHC5 HTR4 4098/4885AURKA 794/4885AURKB 1680/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 HTR4 3043/4885AURKA 2926/4885AURKB 1213/4885
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT HTR4 707/4885AURKA 107/4885AURKB 27/4885
US-20080177066-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH HTR4 2316/4885AURKA 4467/4885AURKB 4310/4885
US-20060047118-A1 New pteridinones as PLK inhibitors PLK2, PLK4, PLK3 HTR4 4160/4885AURKA 116/4885AURKB 117/4885

“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.