SCHEMBL9743455

SCHEMBL9743455

COC(=O)c1cc[nH]c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.46
ABL1 P00519 1/20 0.44
CHEK1 O14757 1/20 0.44
CREBBP Q92793 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 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
SCHEMBL3060358 0.78 ALDH1A1 (0.52) NR4A2ABL1CREBBPLMNATSHR
SCHEMBL4117555 0.78 MAPT (0.46) NR4A2CREBBPLMNATSHRKDM4E
SCHEMBL162289 0.78 NR4A2 (0.44) NR4A2CHEK1CREBBPLMNATSHR
SCHEMBL69393 0.78 NR4A2 (0.44) NR4A2CHEK1CREBBPLMNATSHR
SCHEMBL3711818 0.77
SCHEMBL28966660 0.76 NR4A2 (0.43) NR4A2CHEK1CREBBPLMNATSHR
SCHEMBL27820699 0.76 NR4A2 (0.43) NR4A2CREBBPLMNATSHRSLC6A3
SCHEMBL21258616 0.74 KDM4E (0.47) NR4A2CREBBPLMNATSHRKDM4E
SCHEMBL3699935 0.74
SCHEMBL23565871 0.73 GAA (0.51) NR4A2ABL1CHEK1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-5116998-A Process for the preparation of insecticidal, acaricidal and mollusicidal 2-halopyrrole-3-carbonitrile compounds AMERICAN CYANAMID COMPANY (US) 1992-05-26 US disclosed
US-5041556-A Process for the preparation of insecticidal, acaricidal and molluscicidal 2-halopyrrole-3-carbonitrile compounds AMERICAN CYANAMID COMPANY (US) 1991-08-20 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 NR4A2 4194/4885ABL1 22/4885CHEK1 246/4885

“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.