Sugi Predict

Sugi Predict / Compounds / SCHEMBL10102554

SCHEMBL10102554

SCHEMBL10102554

Cc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 3/20 1.00
▸ EGFR P00533 14/20 0.82
▸ KDR P35968 14/20 0.82
▸ FGFR1 P11362 9/20 0.82
▸ FLT1 P17948 9/20 0.82
▸ FLT4 P35916 9/20 0.82
▸ EPHA2 P29317 3/20 0.82
▸ EPHB4 P54760 3/20 0.82
▸ PDGFRB P09619 2/20 0.82
▸ TEK Q02763 2/20 0.82
▸ BMPR1B O00238 1/20 0.82
▸ PLK4 O00444 1/20 0.82
▸ CIT O14578 1/20 0.82
▸ GAK O14976 1/20 0.82
▸ EPHB6 O15197 1/20 0.82
▸ RIPK2 O43353 1/20 0.82
▸ ROCK2 O75116 1/20 0.82
▸ STK10 O94804 1/20 0.82
▸ MAP4K4 O95819 1/20 0.82
▸ ABL1 P00519 1/20 0.82

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
SCHEMBL29564017 1.00 RET (1.00) RETEGFRKDRFGFR1FLT1
SCHEMBL12604711 0.91 RET (0.84) RETEGFRKDRFGFR1FLT1
Vandetanib SCHEMBL4637084 0.91 EGFR (0.98) RETEGFRKDRFGFR1FLT1
SCHEMBL13458986 0.90 RET (0.82) RETEGFRKDRFGFR1FLT1
SCHEMBL4544070 0.90 EGFR (0.87) RETEGFRKDRFGFR1FLT1
Vandetanib SCHEMBL29352879 0.90 EGFR (1.00) RETEGFRKDRFGFR1FLT1
Vandetanib SCHEMBL28224661 0.90 EGFR (1.00) RETEGFRKDRFGFR1FLT1
Vandetanib SCHEMBL9044 0.90 EGFR (1.00) RETEGFRKDRFGFR1FLT1
Vandetanib SCHEMBL1614458 0.90 EGFR (1.00) RETEGFRKDRFGFR1FLT1
Vandetanib SCHEMBL1783178 0.88 EGFR (0.89) RETEGFRKDRFGFR1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230302144-A1 Porphyrin Compounds and Compositions Useful for Treating Cancer ONCOSELECT THERAPEUTICS, LLC (US) 2023-09-28 — — US disclosed
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-01-07 — — US disclosed
WO-2015175750-A1 MULTIVALENT LIGANDS TARGETING VEGFR THE METHODIST HOSPITAL SYSTEM (US) 2015-11-19 — — WO disclosed
US-9073916-B2 Prodrug forms of kinase inhibitors and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-07 — — US disclosed
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 — — 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 (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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K RET 4/4885EGFR 48/4885KDR 281/4885
US-20230302144-A1 Porphyrin Compounds and Compositions Useful for Treating Cancer KIT, HCCS, PPIF RET 280/4885EGFR 1166/4885KDR 516/4885
US-20160002222-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K RET 5/4885EGFR 41/4885KDR 283/4885

“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.