SCHEMBL2855902

SCHEMBL2855902

NC1CCSc2cc(C(=O)Nc3ccncc3)c(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.50
JAK2 O60674 8/20 0.50
JAK1 P23458 5/20 0.49
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNMA1 Q12791 2/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NT5E P21589 1/20 0.39
PRKCI P41743 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
SCHEMBL4444533 1.00 TYK2 (0.50) TYK2JAK2JAK1ROCK2ROCK1
SCHEMBL2855896 1.00 TYK2 (0.50) TYK2JAK2JAK1ROCK2ROCK1
Hydrochloric Acid SCHEMBL5956702 0.99 TYK2 (0.49) TYK2JAK2JAK1ROCK2ROCK1
Hydrochloric Acid SCHEMBL5956715 0.99 TYK2 (0.49) TYK2JAK2JAK1ROCK2ROCK1
SCHEMBL4451518 0.87 TYK2 (0.45) TYK2JAK2JAK1ROCK2ROCK1
SCHEMBL2851856 0.87 TYK2 (0.45) TYK2JAK2JAK1ROCK2ROCK1
SCHEMBL2851864 0.87 TYK2 (0.45) TYK2JAK2JAK1ROCK2ROCK1
Hydrochloric Acid SCHEMBL5956783 0.86 TYK2 (0.44) TYK2JAK2JAK1ROCK2ROCK1
Hydrochloric Acid SCHEMBL5956704 0.86 TYK2 (0.44) TYK2JAK2JAK1ROCK2ROCK1
SCHEMBL4440145 0.84 KCNMA1 (0.50) TYK2JAK2CYP3A4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP claimed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US claimed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US claimed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP claimed
US-7696194-B2 treating with fasudil hydrochloride; enzyme inhibitor of Rho kinase; promoting regeneration of an optic nerve cell SENJU PHARMACEUTICAL CO., LTD. (JP) 2010-04-13 US disclosed
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
US-7109208-B2 Visual function disorder improving agents SENJU PHARMACEUTICAL CO., LTD. (JP) 2006-09-19 US disclosed
US-20060148852-A1 Visual function disorder improving agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-07-06 US 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-20040106646-A1 Visual function disorder improving agents SENJU PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1378247-A1 VISUAL FUNCTION IMPROVING AGENTS Senju Pharmaceutical Co., Ltd. (JP) 2004-01-07 EP 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 (4 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-20040106646-A1 Visual function disorder improving agents ARHGDIA, GAP43, RHOT2 TYK2 4859/4885JAK2 4802/4885JAK1 4181/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA TYK2 1877/4885JAK2 460/4885JAK1 438/4885
US-20060148852-A1 Visual function disorder improving agents GAP43, ARHGDIA, RHOT2 TYK2 4877/4885JAK2 4863/4885JAK1 4404/4885

“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.