SCHEMBL1574530

SCHEMBL1574530

OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 1.00
CDK2 P24941 4/20 1.00
CDK5 Q00535 3/20 1.00
CDK5R1 Q15078 3/20 1.00
SMG1 Q96Q15 3/20 1.00
MAPT P10636 3/20 1.00
CDK4 P11802 2/20 1.00
CCNB1 P14635 2/20 1.00
CCNA2 P20248 2/20 1.00
CCND1 P24385 2/20 1.00
CDK7 P50613 2/20 1.00
CCNH P51946 2/20 1.00
MTOR P42345 2/20 1.00
NPC1 O15118 2/20 1.00
XBP1 P17861 2/20 1.00
MAPK1 P28482 2/20 1.00
HTT P42858 2/20 1.00
RAB9A P51151 2/20 1.00
CCNT1 O60563 1/20 1.00
CCNE1 P24864 1/20 1.00

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
SCHEMBL29397852 1.00 CDK1 (1.00) CDK1CDK2CDK5CDK5R1SMG1
SCHEMBL29385808 1.00 CDK1 (1.00) CDK1CDK2CDK5CDK5R1SMG1
SCHEMBL30782585 1.00 CDK1 (1.00) CDK1CDK2CDK5CDK5R1SMG1
SCHEMBL7813303 0.98 CDK1 (0.96) CDK1CDK2CDK5CDK5R1SMG1
SCHEMBL7804352 0.97 CDK1 (0.94) CDK1CDK2CDK5CDK5R1SMG1
SCHEMBL7817083 0.95 CDK1 (0.91) CDK1CDK2CDK5CDK5R1SMG1
SCHEMBL6094407 0.94 CDK1 (0.88) CDK1CDK2CDK5CDK5R1SMG1
SCHEMBL7813759 0.92 CDK1 (0.85) CDK1CDK2CDK5CDK5R1SMG1
SCHEMBL7813870 0.92 CDK1 (0.85) CDK1CDK2CDK5CDK5R1SMG1
SCHEMBL14040966 0.92 CDK1 (0.85) CDK1CDK2CDK5CDK5R1SMG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10866241-B2 Method for the prognosis and treatment of cancer metastasis INSTITUCIO CATALANA DE RECERCA I ESTUDIS AVANCATS (ES) 2020-12-15 US claimed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US claimed
EP-0672041-B1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2001-11-14 EP claimed
WO-1997032589-A1 COMBINATIONS FOR TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 1997-09-12 WO claimed
WO-1997032604-A1 ANTIPROLIFERATIVE COMBINATIONS, CONTAINING RAF-TARGETED OLIGONUCLEOTIDES AND CHEMOTHERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 1997-09-12 WO claimed
EP-0672041-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP claimed
WO-1995009853-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO claimed
CN-117379432-B Application of compound or medicinal salt thereof in preparing medicament for treating and preventing diseases caused by porcine pseudorabies virus 北京大学 2024-03-08 CN disclosed
CN-117618434-A Application of compound CGP60474 in preparation of medicines for treating and preventing diseases caused by type I herpesvirus 北京大学 2024-03-01 CN disclosed
CN-117379432-A Application of compound or medicinal salt thereof in preparing medicament for treating and preventing diseases caused by porcine pseudorabies virus 北京大学 2024-01-12 CN disclosed
US-20220218571-A1 HYDROGEL DRUG DELIVERY COMPOSITION BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2022-07-14 US disclosed
US-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS Frequency Therapeutics, Inc. (US) 2022-05-05 US disclosed
US-10940188-B2 Compounds and methods for treatment and prevention of Flavivirus infection FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-03-09 US disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO disclosed
EP-1292190-B1 N-PHENYL-4-(4-PYRIDYL)-2-PYRIMIDINEAMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-08-24 EP disclosed
US-20030236256-A1 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives SYNGENTA CROP PROTECTION, INC. 2003-12-25 US disclosed
US-20030201208-A1 Dynamic superparamagnetic markers KOCH, MARTIN (DK) 2003-10-30 US disclosed
US-5744460-A SYNERGISTIC OF MIXTURE OF PROTEIN KINASE C-TARGETED ANTISENSE OLIGONUCLEOTIDE AND A CHEMOTHERAPEUTIC AGENT, E.G.VINBLASTINE; SIDE EFFECT REDUCTION; ANTICARCINOGENIC- AND TUMOR AGENTS NOVARTIS CORPORATION (US) 1998-04-28 US disclosed
WO-1997032589-A1 COMBINATIONS FOR TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 1997-09-12 WO disclosed
WO-1997032604-A1 ANTIPROLIFERATIVE COMBINATIONS, CONTAINING RAF-TARGETED OLIGONUCLEOTIDES AND CHEMOTHERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 1997-09-12 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 (6 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-10940188-B2 Compounds and methods for treatment and prevention of Flavivirus infection CDK2, CDKN1A, PSENEN CDK1 8/4885CDK2 1/4885CDK5 5/4885
US-20030236256-A1 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives HRH4, HRH3, HRH2 CDK1 2196/4885CDK2 1085/4885CDK5 1081/4885
US-20220218571-A1 HYDROGEL DRUG DELIVERY COMPOSITION PTH1R, PHPT1, PTMS CDK1 2227/4885CDK2 3192/4885CDK5 693/4885
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP CDK1 264/4885CDK2 363/4885CDK5 89/4885
US-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS WNT3A, WNT1, WNT3 CDK1 3063/4885CDK2 3018/4885CDK5 1567/4885
US-10866241-B2 Method for the prognosis and treatment of cancer metastasis MAFG, BRCA1, BCOR CDK1 2928/4885CDK2 4303/4885CDK5 1586/4885

“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.