SCHEMBL4905166

SCHEMBL4905166

Ic1ccc2c(/C=C/c3ccccn3)nn(C3CCCCO3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
RET P07949 1/20 0.35
DGAT2 Q96PD7 1/20 0.33
FGFR1 P11362 1/20 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
ATR Q13535 2/20 0.32
CHEK1 O14757 1/20 0.31
KDR P35968 1/20 0.31
F2R P25116 1/20 0.30

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
SCHEMBL30388040 1.00 CYP4F2 (0.37) CYP4F2CYP4A11RETDGAT2FGFR1
SCHEMBL4905180 1.00 CYP4F2 (0.37) CYP4F2CYP4A11RETDGAT2FGFR1
SCHEMBL30236077 1.00 CYP4F2 (0.37) CYP4F2CYP4A11RETDGAT2FGFR1
SCHEMBL32682437 0.88 RET (0.33) CYP4F2CYP4A11RETDGAT2FGFR1
SCHEMBL4053570 0.88 RET (0.37) CYP4F2CYP4A11RETDGAT2FGFR1
SCHEMBL4053575 0.88 RET (0.37) CYP4F2CYP4A11RETDGAT2FGFR1
SCHEMBL29705188 0.87 FGFR1 (0.38) CYP4F2CYP4A11RETFGFR1MEN1
SCHEMBL18198891 0.87 FGFR1 (0.38) CYP4F2CYP4A11RETFGFR1MEN1
SCHEMBL3715963 0.87 IP6K1 (0.33) CYP4F2CYP4A11RETDGAT2FGFR1
SCHEMBL3715961 0.87 IP6K1 (0.33) CYP4F2CYP4A11RETDGAT2FGFR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112442009-A Deuterated compounds and their use for treating cancer 润佳(苏州)医药科技有限公司 2021-03-05 CN claimed
US-12162876-B2 Indazole kinase inhibitor and use thereof Tarapeutics Science Inc. (CN) 2024-12-10 US disclosed
CN-112442009-B Deuterated compounds and their use for treating cancer 润佳(苏州)医药科技有限公司 2023-10-03 CN disclosed
CN-113350347-B Use of indazoles 安徽中科拓苒药物科学研究有限公司 2023-07-04 CN disclosed
CN-115974858-A Acoxitinib impurity and preparation method thereof 山东新时代药业有限公司 2023-04-18 CN disclosed
CN-111138426-B Indazole kinase inhibitor and application thereof 安徽中科拓苒药物科学研究有限公司 2023-03-10 CN disclosed
CN-109928964-B Synthetic method of axitinib intermediate 江苏开元药业有限公司 2022-04-15 CN disclosed
US-20220002287-A1 INDAZOLE KINASE INHIBITOR AND USE THEREOF Tarapeutics Science Inc. (CN) 2022-01-06 US disclosed
CN-113350347-A Novel use of indazole compound 安徽中科拓苒药物科学研究有限公司 2021-09-07 CN disclosed
CN-112442009-A Deuterated compounds and their use for treating cancer 润佳(苏州)医药科技有限公司 2021-03-05 CN disclosed
US-9580406-B2 Processes for the preparation of axitinib SIGNA S.A. DE C.V. (MX) 2017-02-28 US disclosed
US-20160318898-A1 Processes for the Preparation of Axitinib SIGNA S.A. DE C.V. (MX) 2016-11-03 US disclosed
US-20160318898-A1 Processes for the Preparation of Axitinib SIGNA S.A. DE C.V. (MX) 2016-11-03 US disclosed
US-20160318898-A1 Processes for the Preparation of Axitinib SIGNA S.A. DE C.V. (MX) 2016-11-03 US 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
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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 (4 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 CYP4F2 4589/4885CYP4A11 4660/4885RET 2991/4885
US-12162876-B2 Indazole kinase inhibitor and use thereof FLT3, PDGFRB, FLT1 CYP4F2 1658/4885CYP4A11 892/4885RET 29/4885
US-20220002287-A1 INDAZOLE KINASE INHIBITOR AND USE THEREOF FLT3, FGFR1, FLT1 CYP4F2 1580/4885CYP4A11 758/4885RET 65/4885
US-20160318898-A1 Processes for the Preparation of Axitinib AURKA, AURKC, AURKB CYP4F2 1931/4885CYP4A11 1089/4885RET 356/4885

“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.