SCHEMBL3636090

SCHEMBL3636090

O=C(O)n1nc(I)c2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.45
PDGFRA P16234 2/20 0.40
CDK5 Q00535 2/20 0.40
TYRO3 Q06418 2/20 0.40
MAPK8 P45983 2/20 0.38
DNMT1 P26358 1/20 0.37
MCL1 Q07820 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL14739013 0.82 ELANE (0.36) ELANECDK5ALDH1A1CHEK1LMNA
SCHEMBL4293410 0.81 ELANE (0.48) ELANEPDGFRACDK5TYRO3MAPK8
SCHEMBL3518728 0.81 CHEK1 (0.39) ELANECDK5MCL1MEN1KMT2A
SCHEMBL9953073 0.81 ELANE (0.40) ELANEMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL22715315 0.81 PDGFRA (0.57) ELANEPDGFRACDK5TYRO3MAPK8
SCHEMBL2732559 0.79 CDK1 (0.43) ELANEPDGFRACDK5TYRO3MAPK8
SCHEMBL23783009 0.77 ELANE (0.51) ELANEPDGFRACDK5TYRO3MAPK8
SCHEMBL27788207 0.77 ELANE (0.42) ELANEPDGFRACDK5TYRO3MAPK8
SCHEMBL27788236 0.77 ELANE (0.48) ELANEMEN1KMT2AATMPRKD3
SCHEMBL9952327 0.76 ELANE (0.45) ELANE

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
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 US disclosed
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
CN-101790526-A 5-heteroaryl substituted indazoles as kinase inhibitors ABBOTT GMBH & CO KG 2010-07-28 CN disclosed
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 WO disclosed
EP-1983981-A1 INDAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2008-10-29 EP disclosed
WO-2007088401-A1 INDAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2007-08-09 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-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ELANE 4449/4885PDGFRA 701/4885CDK5 114/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ELANE 4449/4885PDGFRA 701/4885CDK5 114/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 ELANE 267/4885PDGFRA 1743/4885CDK5 2346/4885

“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.