SCHEMBL12410702

SCHEMBL12410702

CC(C)n1ncnc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.39
PIK3CB P42338 5/20 0.38
PIK3CD O00329 5/20 0.38
PIK3CG P48736 4/20 0.38
NR3C2 P08235 1/20 0.35
AURKA O14965 1/20 0.33
CDK1 P06493 1/20 0.33
AURKB Q96GD4 1/20 0.33
RET P07949 2/20 0.33
ABL1 P00519 2/20 0.33
EGFR P00533 2/20 0.33
HCK P08631 2/20 0.33
SRC P12931 2/20 0.33
KDR P35968 2/20 0.33
MTOR P42345 2/20 0.33
EPHB4 P54760 2/20 0.33
PRKDC P78527 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
ACHE P22303 2/20 0.32

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
SCHEMBL1485662 0.82 SRC (0.35) PIK3CAPIK3CBPIK3CDPIK3CGNR3C2
SCHEMBL1431710 0.82 KDM4E (0.36) NR3C2
SCHEMBL30281175 0.82 PIK3CA (0.32) PIK3CAPIK3CBPIK3CDPIK3CGACHE
SCHEMBL30281283 0.81 ACHE (0.33) PIK3CAPIK3CBPIK3CDPIK3CGACHE
SCHEMBL28976852 0.81 KDM4E (0.36) NR3C2
SCHEMBL18018738 0.81 DGAT1 (0.33) PIK3CANR3C2
Lithium Ion SCHEMBL25376591 0.79 DGAT1 (0.30)
SCHEMBL11854415 0.79 PARP10 (0.33) PIK3CA
SCHEMBL8950238 0.78 KMT2A (0.31) PIK3CAPIK3CDPIK3CG
SCHEMBL8950240 0.78 PIK3CA (0.38) PIK3CANR3C2RETKDR

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271951-A1 DIFLUOROCYCLOHEXYL DERIVATIVES AS IL-17 MODULATORS UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2023-08-31 US claimed
US-20230357168-A1 CARBOBICYCLIC NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTION UNIV HONG KONG CHINESE (CN) 2023-11-09 US disclosed
US-20230357168-A1 CARBOBICYCLIC NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTION UNIV HONG KONG CHINESE (CN) 2023-11-09 US disclosed
US-20230271951-A1 DIFLUOROCYCLOHEXYL DERIVATIVES AS IL-17 MODULATORS UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2023-08-31 US disclosed
CN-115867348-A Imidazopyrimidines as IL-17 modulators 詹森药业有限公司 2023-03-28 CN disclosed
EP-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed
CN-115702024-A Difluorocyclohexyl derivatives as IL-17 modulators UCB生物制药有限责任公司 2023-02-14 CN disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20200031805-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2020-01-30 US disclosed
US-20200031805-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2020-01-30 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 US disclosed
US-8497278-B2 Imidazo[1,2-a]pyridine compounds SUNOVION PHARMACEUTICALS INC. (US) 2013-07-30 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 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 (10 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-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD PIK3CA 637/4885PIK3CB 834/4885PIK3CD 1108/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK PIK3CA 1016/4885PIK3CB 1106/4885PIK3CD 961/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK PIK3CA 410/4885PIK3CB 621/4885PIK3CD 542/4885
US-20230271951-A1 DIFLUOROCYCLOHEXYL DERIVATIVES AS IL-17 MODULATORS IL17A, IL2, IL23R PIK3CA 3694/4885PIK3CB 1920/4885PIK3CD 1597/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD PIK3CA 637/4885PIK3CB 834/4885PIK3CD 1108/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK PIK3CA 1016/4885PIK3CB 1106/4885PIK3CD 961/4885
US-20200031805-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS AHR, ARNT, AIPL1 PIK3CA 4108/4885PIK3CB 4464/4885PIK3CD 4603/4885
US-20230357168-A1 CARBOBICYCLIC NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTION PNP, SLC29A1, SLC29A2 PIK3CA 1774/4885PIK3CB 2161/4885PIK3CD 2488/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PIK3CA 846/4885PIK3CB 912/4885PIK3CD 836/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PIK3CA 846/4885PIK3CB 912/4885PIK3CD 836/4885

“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.