SCHEMBL7007567

SCHEMBL7007567

CC(C)n1cc(-c2ccc(N)cc2)c2c(N)ncnc21

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.71
TEK Q02763 10/20 0.71
LCK P06239 7/20 0.71
SRC P12931 4/20 0.71
PIK3CD O00329 1/20 0.65
PIK3CA P42336 1/20 0.65
PIK3CB P42338 1/20 0.65
PIK3CG P48736 1/20 0.65
PRKDC P78527 1/20 0.65
RET P07949 4/20 0.55
FLT3 P36888 1/20 0.53
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
ABL2 P42684 1/20 0.51

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
SCHEMBL13020100 0.89 KDR (0.68) KDRTEKLCKSRCPIK3CD
SCHEMBL2074398 0.89 PIK3CD (0.73) KDRTEKLCKSRCPIK3CD
SCHEMBL2074335 0.87 KDR (0.76) KDRTEKLCKSRCPIK3CD
SCHEMBL7009436 0.86 KDR (0.55) KDRTEKLCKSRCPIK3CD
SCHEMBL2074938 0.85 KDR (0.64) KDRTEKLCKSRCPIK3CD
SCHEMBL29780906 0.85 RET (0.56) KDRTEKLCKSRCPIK3CD
SCHEMBL23170598 0.83 KDR (0.67) KDRTEKLCKSRCPIK3CD
SCHEMBL7005359 0.83 TEK (1.00) KDRTEKLCKSRCPIK3CD
SCHEMBL29552512 0.83 TEK (1.00) KDRTEKLCKSRCPIK3CD
SCHEMBL29052163 0.83 KDR (0.52) KDRTEKLCKSRCPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287081-A1 PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2024-08-29 US disclosed
CN-111689991-B Substituted heteroaryl compounds, compositions and uses thereof 习峰 2023-06-09 CN disclosed
WO-2022261352-A1 PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-12-15 WO disclosed
WO-2022261352-A1 PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-12-15 WO disclosed
CN-110627796-B Nitrogenous heterocyclic derivative and application thereof in medicine 北京越之康泰生物医药科技有限公司 2022-07-12 CN disclosed
CN-110036014-B Compound with AXL inhibitory activity and preparation and application thereof 中国科学院上海药物研究所 2021-09-07 CN disclosed
CN-111689991-A Substituted heteroaryl compounds, compositions and uses thereof 习峰 2020-09-22 CN disclosed
WO-2020182188-A1 SUBSTITUTED HETEROARYL COMPOUND, COMPOSITION OF SAME, AND USES THEREOF 习峰 2020-09-17 WO disclosed
CN-110627796-A Nitrogenous heterocyclic derivative and application thereof in medicine 北京越之康泰生物医药科技有限公司 2019-12-31 CN disclosed
WO-2018121228-A1 COMPOUND HAVING AXL INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2018-07-05 WO disclosed
CN-1134439-C Pyrrolo [2,3D ] pyrimidines and their use as tyrosine kinase inhibitors 艾博特股份有限两合公司 2004-01-14 CN disclosed
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP disclosed
EP-0970084-A1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
US-6001839-A Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
WO-1998041525-A1 PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 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 (1 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-20240287081-A1 PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF PPARD, PFAS, FOLR2 KDR 300/4885TEK 605/4885LCK 1842/4885

“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.