SCHEMBL2853655

SCHEMBL2853655

Cc1c(C(=O)Nc2ccncc2)ccc2c1SCC[C@@H]2N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.43
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 6/20 0.40
JAK1 P23458 1/20 0.39
PRKCI P41743 1/20 0.39
NT5E P21589 1/20 0.39
ROCK2 O75116 4/20 0.39
ROCK1 Q13464 4/20 0.39
PKN2 Q16513 3/20 0.39
RPS6KA5 O75582 2/20 0.39
LRRK2 Q5S007 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
HTT P42858 2/20 0.39
CHUK O15111 1/20 0.39
PRKD3 O94806 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
LTK P29376 1/20 0.39

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
SCHEMBL4451721 1.00 TYK2 (0.43) TYK2LMNASMN1; SMN2JAK2JAK1
SCHEMBL2853659 1.00 TYK2 (0.43) TYK2LMNASMN1; SMN2JAK2JAK1
Hydrochloric Acid SCHEMBL5956522 0.99 TYK2 (0.42) TYK2LMNASMN1; SMN2JAK2JAK1
Hydrochloric Acid SCHEMBL5956575 0.99 TYK2 (0.42) TYK2LMNASMN1; SMN2JAK2JAK1
SCHEMBL5956534 0.79 TYK2 (0.37) TYK2LMNASMN1; SMN2JAK2JAK1
SCHEMBL5956593 0.79 TYK2 (0.37) TYK2LMNASMN1; SMN2JAK2JAK1
SCHEMBL2851864 0.79 TYK2 (0.45) TYK2LMNASMN1; SMN2JAK2JAK1
SCHEMBL2851856 0.79 TYK2 (0.45) TYK2LMNASMN1; SMN2JAK2JAK1
SCHEMBL4451518 0.79 TYK2 (0.45) TYK2LMNASMN1; SMN2JAK2JAK1
Hydrochloric Acid SCHEMBL5956783 0.78 TYK2 (0.44) TYK2LMNASMN1; SMN2JAK2JAK1

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 354/4885LMNA 3962/4885SMN1; SMN2 3300/4885
US-20040106646-A1 Visual function disorder improving agents ARHGDIA, GAP43, RHOT2 TYK2 4859/4885LMNA 3520/4885SMN1; SMN2 688/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA TYK2 1877/4885LMNA 1637/4885SMN1; SMN2 4392/4885
US-20060148852-A1 Visual function disorder improving agents GAP43, ARHGDIA, RHOT2 TYK2 4877/4885LMNA 3215/4885SMN1; SMN2 392/4885

“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.