SCHEMBL14985447

SCHEMBL14985447

CC(C)n1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2F)c2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.61
▸ SRC P12931 16/20 0.57
▸ KDR P35968 14/20 0.57
▸ ABL1 P00519 14/20 0.57
▸ PIK3CG P48736 14/20 0.57
▸ PRKDC P78527 14/20 0.57
▸ EGFR P00533 13/20 0.57
▸ HCK P08631 13/20 0.57
▸ MTOR P42345 13/20 0.57
▸ EPHB4 P54760 13/20 0.57
▸ PIK3CD O00329 13/20 0.57
▸ PIK3CA P42336 13/20 0.57
▸ PIK3CB P42338 12/20 0.57
▸ PI4KB Q9UBF8 10/20 0.57
▸ AURKA O14965 1/20 0.51
▸ IKBKE Q14164 1/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ RIPK1 Q13546 1/20 0.51
▸ KIT P10721 1/20 0.49
▸ FLT3 P36888 1/20 0.49

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
SCHEMBL15978897 0.92 KDR (0.60) RETSRCKDRABL1PIK3CG
SCHEMBL14985445 0.90 RET (0.67) RETSRCKDRABL1PIK3CG
SCHEMBL15978898 0.87 RET (0.65) RETSRCKDRABL1PIK3CG
SCHEMBL15978896 0.86 RET (0.60) RETSRCKDRABL1PIK3CG
SCHEMBL14985439 0.85 RET (0.59) RETSRCKDRABL1PIK3CG
SCHEMBL12120525 0.85 RET (0.67) RETSRCKDRABL1PIK3CG
SCHEMBL14985442 0.85 RET (0.82) RETSRCKDRABL1PIK3CG
SCHEMBL14985444 0.84 RET (0.68) RETSRCKDRABL1PIK3CG
SCHEMBL12120716 0.80 AURKB (0.78) RETSRCKDRABL1PIK3CG
SCHEMBL1318875 0.79 RET (0.77) RETSRCKDRABL1PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233691-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2023-07-27 — — US disclosed
US-20230233691-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2023-07-27 — — US disclosed
US-9895373-B2 Substituted pyrazolo[3,4-D]pyrimidines and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 — — US disclosed
US-9895373-B2 Substituted pyrazolo[3,4-D]pyrimidines and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 — — US disclosed
US-20160354377-A1 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-12-08 — — US disclosed
US-20160354377-A1 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-12-08 — — US disclosed
US-9321772-B2 Substituted pyrazolo[3,4-D]pyrimidines and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-26 — — US disclosed
US-9321772-B2 Substituted pyrazolo[3,4-D]pyrimidines and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-26 — — US disclosed
US-20140243357-A1 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES AND USES THEREOF MOUNT SINAI SCHOOL OF MEDICINE (US) 2014-08-28 — — US disclosed
US-20140243357-A1 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES AND USES THEREOF MOUNT SINAI SCHOOL OF MEDICINE (US) 2014-08-28 — — US disclosed
WO-2013077921-A9 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-25 — — WO disclosed
WO-2013077921-A2 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 — — 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 (3 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-20230233691-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MYADM, FABP6 RET 1104/4885SRC 2138/4885KDR 2501/4885
US-20160354377-A1 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES AND USES THEREOF DPYD, TYMP, TYMS RET 813/4885SRC 1163/4885KDR 1322/4885
US-20140243357-A1 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES AND USES THEREOF DPYD, TYMP, TYMS RET 813/4885SRC 1163/4885KDR 1322/4885

“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.

Send feedback