SCHEMBL14985442

SCHEMBL14985442

CC(C)n1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2F)c2c(N)ncnc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 3/20 0.82
▸ RIPK1 Q13546 2/20 0.55
▸ KDR P35968 9/20 0.54
▸ SRC P12931 8/20 0.54
▸ ABL1 P00519 7/20 0.54
▸ FLT1 P17948 5/20 0.54
▸ EGFR P00533 5/20 0.54
▸ TEK Q02763 4/20 0.54
▸ CSF1R P07333 3/20 0.54
▸ FLT4 P35916 3/20 0.54
▸ KIT P10721 3/20 0.54
▸ PDGFRB P09619 3/20 0.54
▸ GSK3A P49840 2/20 0.54
▸ GSK3B P49841 2/20 0.54
▸ PDGFRA P16234 2/20 0.54
▸ AURKA O14965 2/20 0.54
▸ LCK P06239 2/20 0.54
▸ FGFR1 P11362 2/20 0.54
▸ FGFR3 P22607 2/20 0.54
▸ FLT3 P36888 2/20 0.54

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
SCHEMBL14985445 0.90 RET (0.67) RETRIPK1KDRSRCABL1
SCHEMBL29378701 0.90 RET (1.00) RETRIPK1KDRSRCABL1
SCHEMBL14985438 0.90 RET (1.00) RETRIPK1KDRSRCABL1
SCHEMBL15978898 0.89 RET (0.65) RETKDRSRCABL1FLT1
SCHEMBL14985436 0.85 RET (0.85) RETRIPK1KDRSRCABL1
SCHEMBL15978896 0.85 RET (0.60) RETRIPK1KDRSRCABL1
SCHEMBL14985447 0.85 RET (0.61) RETRIPK1KDRSRCABL1
SCHEMBL24710712 0.85 RET (0.89) RETRIPK1KDRSRCABL1
SCHEMBL14985439 0.85 RET (0.59) RETRIPK1KDRSRCABL1
SCHEMBL31000867 0.85 RET (0.89) RETRIPK1KDRSRCABL1

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 8 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-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-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 1104/4885RIPK1 2170/4885KDR 2501/4885
US-20160354377-A1 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES AND USES THEREOF DPYD, TYMP, TYMS RET 813/4885RIPK1 2529/4885KDR 1322/4885
US-20140243357-A1 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES AND USES THEREOF DPYD, TYMP, TYMS RET 813/4885RIPK1 2529/4885KDR 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.

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