SCHEMBL807666

SCHEMBL807666

Nc1cc(N2CCOCC2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.58
KMO O15229 1/20 0.57
ADK P55263 1/20 0.56
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
PIK3CB P42338 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
PIK3CA P42336 3/20 0.47
MTOR P42345 2/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
ELOVL1 Q9BW60 1/20 0.46

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
SCHEMBL30828973 0.93 CYP2C19 (0.53) CYP2C19KMOADKHTTSMN1; SMN2
SCHEMBL26647473 0.93 CYP2C19 (0.53) CYP2C19KMOADKHTTSMN1; SMN2
SCHEMBL6800730 0.87 KDR (0.53) CYP2C19KMOADKHTTSMN1; SMN2
SCHEMBL31110333 0.86 CYP2C19 (0.68) CYP2C19KMOHTTSMN1; SMN2KDM4E
SCHEMBL6803221 0.83 KDR (0.55) CYP2C19KMOADKHTTSMN1; SMN2
SCHEMBL19004851 0.82 AKT1 (0.47) CYP2C19ADKSMN1; SMN2JAK2JAK3
SCHEMBL807296 0.82 SMN1; SMN2 (0.50) SMN1; SMN2JAK2JAK3CRHBPCRHR2
SCHEMBL30579439 0.82 SMN1; SMN2 (0.50) SMN1; SMN2JAK2JAK3CRHBPCRHR2
SCHEMBL4137311 0.81 KMO (0.61) CYP2C19KMOADKHTTSMN1; SMN2
SCHEMBL5889085 0.81 SMN1; SMN2 (0.53) SMN1; SMN2JAK2JAK3CYP1A2CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 CN disclosed
US-11612604-B2 Methods of treating cancer with PLK4 inhibitors LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2023-03-28 US disclosed
EP-3283482-B1 PLK4 INHIBITORS LUDWIG INST FOR CANCER RES LTD (CH) 2022-04-06 EP disclosed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed
US-20200299282-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS LLC (US) 2020-09-24 US disclosed
EP-3362450-B1 N1- AND N7-SUBSTITUTED SIBIRILINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CELLULAR NECROPTOSIS INST NAT SANTE RECH MED (FR) 2020-07-01 EP disclosed
US-10457678-B2 Substituted pyrrolo[2,3-b]pyridines as inhibitors of cellular necroptosis INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2019-10-29 US disclosed
US-20180312502-A1 N1-And N7-Substituted Sibiriline Derivatives And Their Use As Inhibitor Of Cellular Necroptosis INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2018-11-01 US disclosed
EP-3362450-A1 N1- AND N7-SUBSTITUTED SIBIRILINE DERIVATIVES AND THEIR USE AS INHIBITOR OF CELLULAR NECROPTOSIS Institut National de la Sante et de la Recherche Medicale (INSERM) (FR) 2018-08-22 EP disclosed
EP-3283482-A1 PLK4 INHIBITORS Ludwig Institute for Cancer Research Ltd (CH) 2018-02-21 EP disclosed
WO-2008078100-A2 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 WO disclosed
US-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US disclosed
CN-1010947-B PROCESS FOR PREPN. OF PYRIDOPYRIMIDINES COMPOUNDS BAYER AG (DE) 1990-12-26 CN disclosed
EP-0232025-A2 Dihydropyridine anti-ischaemic and antihypertensive agents Pfizer Limited (GB) 1987-08-12 EP disclosed
CN-86100279-A The method for preparing the Pyridopyrimidine compounds 1986-11-19 CN disclosed
US-4621082-A Pyridopyrimidines, pharmaceutical compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
US-4565864-A INTERMEDIATES FOR BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1986-01-21 US disclosed
US-4503050-A BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1985-03-05 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 (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-11612604-B2 Methods of treating cancer with PLK4 inhibitors PLK4, PLK2, PLK3 CYP2C19 4666/4885KMO 4107/4885ADK 326/4885
US-10457678-B2 Substituted pyrrolo[2,3-b]pyridines as inhibitors of cellular necroptosis CASP7, PARK7, RIPK3 CYP2C19 4521/4885KMO 1297/4885ADK 2182/4885
US-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CYP2C19 4843/4885KMO 1685/4885ADK 666/4885
US-20180312502-A1 N1-And N7-Substituted Sibiriline Derivatives And Their Use As Inhibitor Of Cellular Necroptosis CASP7, RIPK3, PARK7 CYP2C19 4572/4885KMO 3560/4885ADK 2061/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CYP2C19 4843/4885KMO 1685/4885ADK 666/4885
US-20200299282-A1 COMPOUNDS AND METHODS FOR TREATING CANCER VHL, TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP2C19 2462/4885KMO 3163/4885ADK 2804/4885

“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.