SCHEMBL8404487

SCHEMBL8404487

Cc1cccc2onc(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
KDR P35968 3/20 0.40
FLT3 P36888 3/20 0.40
MAP4K4 O95819 2/20 0.40
PDGFRB P09619 2/20 0.40
PIM1 P11309 2/20 0.40
FGFR1 P11362 2/20 0.40
PDGFRA P16234 2/20 0.40
PRKACA P17612 2/20 0.40
LTK P29376 2/20 0.40
GRK5 P34947 2/20 0.40
CDK8 P49336 2/20 0.40
CDK7 P50613 2/20 0.40
CDK9 P50750 2/20 0.40
LIMK1 P53667 2/20 0.40
MAP2K1 Q02750 2/20 0.40
ACVR1 Q04771 2/20 0.40
MST1R Q04912 2/20 0.40
MAP4K2 Q12851 2/20 0.40

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
Formamide SCHEMBL28510846 0.89 KDR (0.38) CYP1A2CYP2C19KDRFLT3MAP4K4
SCHEMBL21783714 0.79 KDR (0.45) KDRFLT3MAP4K4PDGFRBPIM1
SCHEMBL28133272 0.79 KDR (0.38) KDRFLT3MAP4K4PDGFRBPIM1
SCHEMBL28133259 0.79 LMNA (0.47) KDRFLT3MAP4K4PDGFRBPIM1
SCHEMBL21807299 0.79 KDR (0.38) CYP1A2CYP2C19KDRFLT3MAP4K4
SCHEMBL29314341 0.79 KDR (0.38) CYP1A2CYP2C19KDRFLT3MAP4K4
SCHEMBL3195416 0.79 KCNA5 (0.46) CYP1A2KDRFLT3MAP4K4PDGFRB
SCHEMBL16646799 0.79 KDR (0.57) KDRFLT3MAP4K4PDGFRBPIM1
SCHEMBL3242456 0.79 KDR (0.38) CYP1A2KDRFLT3MAP4K4PDGFRB
SCHEMBL22539894 0.76 KDR (0.36) KDRFLT3MAP4K4PDGFRBPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771664-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2023-10-03 US disclosed
US-11701331-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2023-07-18 US disclosed
WO-2023088406-A1 FUSED IMIDE DERIVATIVE 正大天晴药业集团股份有限公司 2023-05-25 WO disclosed
US-20170239196-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDEYRA THERAPEUTICS, INC. (F/K/A ALDEXA THERAPEUTICS, INC. F/K/A NEURON SYSTEMS, INC.) 2017-08-24 US disclosed
US-9687481-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2017-06-27 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20150335632-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDEYRA THERAPEUTICS, INC. (F/K/A ALDEXA THERAPEUTICS, INC. F/K/A NEURON SYSTEMS, INC.) 2015-11-26 US disclosed
US-20140227780-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-08-14 US disclosed
US-20140227780-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-08-14 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20120030841-A1 Isoxazoline compounds for combating invertebrate pests BASF SE (DE) 2012-02-02 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
CN-1098843-C Isoxazoles SANKYO CO (JP) 2003-01-15 CN 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 (8 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 CYP1A2 2162/4885CYP2C19 2884/4885KDR 2985/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 CYP1A2 2162/4885CYP2C19 2884/4885KDR 2985/4885
US-20170239196-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 CYP1A2 1154/4885CYP2C19 2698/4885KDR 1942/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 CYP1A2 2808/4885CYP2C19 4122/4885KDR 2906/4885
US-11771664-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 CYP1A2 1154/4885CYP2C19 2698/4885KDR 1942/4885
US-11701331-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 CYP1A2 1154/4885CYP2C19 2698/4885KDR 1942/4885
US-20120030841-A1 Isoxazoline compounds for combating invertebrate pests PRDX5, PRDX1, PRDX2 CYP1A2 122/4885CYP2C19 1970/4885KDR 4848/4885
US-20150335632-A1 TOXIC ALDEHYDE RELATED DISEASES AND TREATMENT ALDH1A2, ALDH2, ALDH1A1 CYP1A2 1154/4885CYP2C19 2698/4885KDR 1942/4885

“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.