SCHEMBL294108

SCHEMBL294108

Clc1cnc2[nH]ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 6/20 0.55
AXL P30530 3/20 0.55
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
RIPK1 Q13546 4/20 0.51
AHR P35869 2/20 0.50
F7 P08709 1/20 0.50
LTA4H P09960 1/20 0.50
F3 P13726 1/20 0.50
NR4A2 P43354 1/20 0.50
KDR P35968 3/20 0.49
FGFR1 P11362 2/20 0.49
PLK4 O00444 2/20 0.49
ROCK2 O75116 2/20 0.49
PRKD3 O94806 2/20 0.49
MAP4K4 O95819 2/20 0.49
INSR P06213 2/20 0.49
CDK1 P06493 2/20 0.49

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
Quinoline SCHEMBL28838214 0.83 AXL (0.51) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL16746926 0.80 RIPK1 (0.71) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL410298 0.80 RIPK1 (0.71) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL4831501 0.78 CDK8 (0.81) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL7996669 0.77 ULK1 (0.48) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL23655689 0.77 CDK8 (0.56) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL13854143 0.76 NUDT1 (0.56) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL294106 0.75 CDK8 (0.55) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL297772 0.75 CDK8 (0.55) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL3348675 0.75 CDK8 (0.55) CDK8AXLPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736204-A Preparation method of pexidaltinib structural analogue and application of pexidaltinib structural analogue in tumor resistance 湖北工业大学 2022-07-12 CN claimed
CN-113816956-A Synthesis method of pexidaltinib 湖北工业大学 2021-12-21 CN claimed
CN-104478909-B The synthesis technique of heterocyclic boronic acids compounds 上海泰坦科技股份有限公司 2017-01-04 CN claimed
CN-106279156-A A kind of synthetic method of 5 chlorine 7 azaindoles 叶芳 2017-01-04 CN claimed
US-20150284388-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED 2015-10-08 US claimed
US-20150099884-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED 2015-04-09 US claimed
US-20140309421-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US claimed
EP-2729465-A2 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES Vertex Pharmaceuticals Incorporated (US) 2014-05-14 EP claimed
US-8513414-B2 Processes and intermediates for producing azaindoles VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-20 US claimed
US-20130102782-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-25 US claimed
WO-2013006634-A9 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-21 WO claimed
WO-2013006634-A2 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 WO claimed
CN-101402635-B Process for producing 5-chlorine-7-aza indole ABA CHEMICALS SHANGHAI LTD 2011-01-12 CN claimed
CN-101402635-A Process for producing 5-chlorine-7-aza indole ABA CHEMICALS SHANGHAI LTD (CN) 2009-04-08 CN claimed
CN-116496219-B Six-membered and five-membered heterocyclic compound, and pharmaceutical composition and application thereof 东南大学 2026-05-15 CN disclosed
US-12559489-B2 Antagonistic small molecule compound having toll-like receptor 7/9 inhibitory function AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2026-02-24 US disclosed
US-20250361233-A1 Compounds For Activating Serotonin Receptor Psylo Pty Ltd (AU) 2025-11-27 US disclosed
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-01-05 US disclosed
WO-2005103050-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-11-03 WO disclosed
WO-2005095400-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-10-13 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 (7 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-20150099884-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES JAK2, JAK3, JAK1 CDK8 32/4885AXL 1344/4885PIK3CD 139/4885
US-20250361233-A1 Compounds For Activating Serotonin Receptor HTR2C, HTR2A, HTR6 CDK8 1147/4885AXL 2342/4885PIK3CD 1300/4885
US-20140309421-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES JAK2, JAK3, JAK1 CDK8 32/4885AXL 1344/4885PIK3CD 139/4885
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases ROCK2, ROCK1, TNK2 CDK8 280/4885AXL 2432/4885PIK3CD 197/4885
US-20130102782-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES JAK2, JAK3, JAK1 CDK8 32/4885AXL 1344/4885PIK3CD 139/4885
US-12559489-B2 Antagonistic small molecule compound having toll-like receptor 7/9 inhibitory function TLR9, TLR7, TLR1 CDK8 2670/4885AXL 1069/4885PIK3CD 957/4885
US-20150284388-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AZAINDOLES JAK2, JAK3, JAK1 CDK8 32/4885AXL 1344/4885PIK3CD 139/4885

“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.