SCHEMBL4438534

SCHEMBL4438534

N[C@@H]1CCS(=O)(=O)c2cc(C(=O)Nc3ccnc4[nH]ccc34)c(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
ROCK2 O75116 5/20 0.41
ROCK1 Q13464 3/20 0.41
PRKD3 O94806 2/20 0.41
PRKACA P17612 2/20 0.41
PRKCQ Q04759 2/20 0.41
PRKCD Q05655 2/20 0.41
PKN2 Q16513 2/20 0.41
PRKD2 Q9BZL6 2/20 0.41
PRKCI P41743 2/20 0.41
ACVR1 Q04771 2/20 0.41
PLK4 O00444 1/20 0.41
PDPK1 O15530 1/20 0.41
RPS6KA5 O75582 1/20 0.41
PAK4 O96013 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL2858444 1.00 JAK2 (0.48) JAK2JAK1TYK2ROCK2ROCK1
SCHEMBL2858448 1.00 JAK2 (0.48) JAK2JAK1TYK2ROCK2ROCK1
Bromide SCHEMBL5956520 0.99 JAK2 (0.48) JAK2JAK1TYK2ROCK2ROCK1
SCHEMBL4446202 0.89 ROCK2 (0.46) JAK2JAK1TYK2ROCK2ROCK1
SCHEMBL2847238 0.89 ROCK2 (0.46) JAK2JAK1TYK2ROCK2ROCK1
SCHEMBL2847235 0.89 ROCK2 (0.46) JAK2JAK1TYK2ROCK2ROCK1
Bromide SCHEMBL5956696 0.88 ROCK2 (0.45) JAK2JAK1TYK2ROCK2ROCK1
SCHEMBL4443777 0.86 PAK1 (0.35) JAK2JAK1TYK2ROCK2IRAK4
SCHEMBL4442259 0.86 PAK1 (0.35) JAK2JAK1TYK2ROCK2IRAK4
SCHEMBL4443901 0.86 PAK1 (0.35) JAK2JAK1TYK2ROCK2IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION 2009-02-05 US disclosed
WO-2008049000-A2 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION (US) 2008-04-24 WO disclosed
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP 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 (2 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 JAK2 585/4885JAK1 490/4885TYK2 354/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA JAK2 460/4885JAK1 438/4885TYK2 1877/4885

“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.