SCHEMBL105205

SCHEMBL105205

CCn1nc(C)c(F)c1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
POLB P06746 2/20 0.33
P2RX7 Q99572 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL23116080 0.87 KMT2A (0.44) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
SCHEMBL101951 0.83 ALDH1A1 (0.41) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
SCHEMBL841946 0.81 KDM4E (0.49) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
SCHEMBL21753564 0.81 NPC1 (0.44) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
SCHEMBL17163996 0.80 GAA (0.44) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
SCHEMBL106227 0.80 KDM4E (0.38) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
SCHEMBL102723 0.80 KMT2A (0.46) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
SCHEMBL22312633 0.79 KDM4E (0.35) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
SCHEMBL22313546 0.79 KDM4E (0.38) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT
SCHEMBL9201767 0.78 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1KMT2AMAPT

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
EP-2426110-B1 PYRAZOLYL ACRYLONITRILE COMPOUNDS AND USES THEREOF SINOCHEM CORP (CN) 2013-10-16 EP disclosed
US-8455532-B2 Pyrazolyl acrylonitrile compounds and uses thereof SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2013-06-04 US disclosed
US-8455532-B2 Pyrazolyl acrylonitrile compounds and uses thereof SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2013-06-04 US disclosed
US-8455532-B2 Pyrazolyl acrylonitrile compounds and uses thereof SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2013-06-04 US disclosed
EP-2426110-A1 PYRAZOLYL ACRYLONITRILE COMPOUNDS AND USES THEREOF Sinochem Corporation (CN) 2012-03-07 EP disclosed
EP-2426110-A1 PYRAZOLYL ACRYLONITRILE COMPOUNDS AND USES THEREOF Sinochem Corporation (CN) 2012-03-07 EP disclosed
US-20120035236-A1 Pyrazolyl Acrylonitrile Compounds and Uses Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2012-02-09 US disclosed
US-20120035236-A1 Pyrazolyl Acrylonitrile Compounds and Uses Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2012-02-09 US disclosed
US-20120035236-A1 Pyrazolyl Acrylonitrile Compounds and Uses Thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2012-02-09 US 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-20120035236-A1 Pyrazolyl Acrylonitrile Compounds and Uses Thereof CBR3, C3AR1, C5 SMN1; SMN2 3957/4885KDM4E 2645/4885ALDH1A1 337/4885

“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.