SCHEMBL14985444

SCHEMBL14985444

CC(C)n1nc(-c2ccc(NC(=O)Nc3ccccc3)c(F)c2)c2c(N)ncnc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.68
▸ SRC P12931 18/20 0.62
▸ PIK3CD O00329 16/20 0.62
▸ ABL1 P00519 16/20 0.62
▸ PIK3CA P42336 16/20 0.62
▸ PRKDC P78527 16/20 0.62
▸ PIK3CG P48736 15/20 0.62
▸ EGFR P00533 15/20 0.62
▸ KDR P35968 15/20 0.62
▸ PIK3CB P42338 14/20 0.62
▸ HCK P08631 14/20 0.62
▸ MTOR P42345 14/20 0.62
▸ EPHB4 P54760 14/20 0.62
▸ PI4KB Q9UBF8 11/20 0.62
▸ BACE1 P56817 1/20 0.55

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
SCHEMBL15978893 0.91 RET (0.62) RETSRCPIK3CDABL1PIK3CA
SCHEMBL14985435 0.89 RET (0.73) RETSRCPIK3CDABL1PIK3CA
SCHEMBL12120525 0.88 RET (0.67) RETSRCPIK3CDABL1PIK3CA
SCHEMBL15978894 0.87 RET (0.67) RETSRCPIK3CDABL1PIK3CA
SCHEMBL15978895 0.85 RET (0.68) RETSRCPIK3CDABL1PIK3CA
SCHEMBL14985436 0.84 RET (0.85) RETSRCPIK3CDABL1PIK3CA
SCHEMBL14985441 0.84 RET (0.67) RETSRCPIK3CDABL1PIK3CA
SCHEMBL5804211 0.84 AURKB (0.59) RETSRCPIK3CDABL1PIK3CA
SCHEMBL14985447 0.84 RET (0.61) RETSRCPIK3CDABL1PIK3CA
SCHEMBL5823907 0.83 AURKA (0.58) RETSRCPIK3CDABL1PIK3CA

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 2138/4885PIK3CD 1835/4885
US-20160354377-A1 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES AND USES THEREOF DPYD, TYMP, TYMS RET 813/4885SRC 1163/4885PIK3CD 1226/4885
US-20140243357-A1 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES AND USES THEREOF DPYD, TYMP, TYMS RET 813/4885SRC 1163/4885PIK3CD 1226/4885

“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.

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