SCHEMBL4448291

SCHEMBL4448291

Cc1c(C(=O)Nc2ccncc2)ccc2c1S(=O)(=O)CC[C@H]2N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.42
JAK2 O60674 6/20 0.41
JAK1 P23458 1/20 0.38
PRKCI P41743 1/20 0.38
NT5E P21589 1/20 0.38
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 4/20 0.38
PKN2 Q16513 3/20 0.38
RPS6KA5 O75582 2/20 0.38
LRRK2 Q5S007 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
HTT P42858 2/20 0.38
CHUK O15111 1/20 0.38
PRKD3 O94806 1/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
LTK P29376 1/20 0.38
CDK8 P49336 1/20 0.38
PRKX P51817 1/20 0.38

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
SCHEMBL2849728 1.00 TYK2 (0.42) TYK2JAK2JAK1PRKCINT5E
SCHEMBL2849732 1.00 TYK2 (0.42) TYK2JAK2JAK1PRKCINT5E
Hydrochloric Acid SCHEMBL5956585 0.99 TYK2 (0.41) TYK2JAK2JAK1PRKCINT5E
SCHEMBL2856597 0.79 TYK2 (0.44) TYK2JAK2JAK1PRKCINT5E
SCHEMBL4443812 0.79 TYK2 (0.44) TYK2JAK2JAK1PRKCINT5E
SCHEMBL2856600 0.79 TYK2 (0.44) TYK2JAK2JAK1PRKCINT5E
SCHEMBL5956598 0.79 JAK2 (0.37) TYK2JAK2JAK1NT5ELMNA
Hydrochloric Acid SCHEMBL5956945 0.78 TYK2 (0.43) TYK2JAK2JAK1PRKCINT5E
Hydrochloric Acid SCHEMBL5956776 0.78 TYK2 (0.43) TYK2JAK2JAK1PRKCINT5E
SCHEMBL4451721 0.76 TYK2 (0.43) TYK2JAK2JAK1PRKCINT5E

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 4 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
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 TYK2 354/4885JAK2 585/4885JAK1 490/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA TYK2 1877/4885JAK2 460/4885JAK1 438/4885

“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.