Sugi Predict

Sugi Predict / Compounds / SCHEMBL4053570

SCHEMBL4053570

SCHEMBL4053570

Nc1ccc2c(/C=C/c3ccccn3)nn(C3CCCCO3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 6/20 0.37
▸ KDR P35968 2/20 0.37
▸ DGAT2 Q96PD7 1/20 0.33
▸ CYP4F2 P78329 2/20 0.33
▸ CYP4A11 Q02928 2/20 0.33
▸ FGFR1 P11362 2/20 0.32
▸ ATR Q13535 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ GRM4 Q14833 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ PARP1 P09874 1/20 0.31

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
SCHEMBL4053575 1.00 RET (0.37) RETKDRDGAT2CYP4F2CYP4A11
SCHEMBL28684894 0.92 RET (0.37) RETKDRCYP4F2CYP4A11FGFR1
SCHEMBL30792270 0.92 RET (0.37) RETKDRCYP4F2CYP4A11FGFR1
SCHEMBL29387740 0.92 RET (0.37) RETKDRCYP4F2CYP4A11FGFR1
SCHEMBL28684897 0.92 RET (0.37) RETKDRCYP4F2CYP4A11FGFR1
SCHEMBL31249530 0.88 KDR (0.36) RETKDRFGFR1
SCHEMBL31249566 0.88 KDR (0.36) RETKDRFGFR1
SCHEMBL4905166 0.88 CYP4F2 (0.37) RETKDRDGAT2CYP4F2CYP4A11
SCHEMBL32682437 0.88 RET (0.33) RETKDRDGAT2CYP4F2CYP4A11
SCHEMBL30236077 0.88 CYP4F2 (0.37) RETKDRDGAT2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942544-B Novel indazole derivative kinase inhibitor 中国科学院合肥物质科学研究院 2021-06-11 — — CN disclosed
WO-2009036066-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 — — WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
EP-1814859-A2 METHODS FOR PREPARING INDAZOLE COMPOUNDS Pfizer, Inc. (US) 2007-08-08 — — EP disclosed
EP-1809625-A1 METHODS FOR PREPARING INDAZOLE COMPOUNDS Pfizer, Inc. (US) 2007-07-25 — — EP disclosed
WO-2006048745-A1 METHODS FOR PREPARING INDAZOLE COMPOUNDS PFIZER INC. (US) 2006-05-11 — — WO disclosed
WO-2006048761-A2 METHODS FOR PREPARING INDAZOLE COMPOUNDS PFIZER INC. (US) 2006-05-11 — — 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 RET 2991/4885KDR 2667/4885DGAT2 1688/4885

“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.