SCHEMBL16637702

SCHEMBL16637702

COc1ccc2cn(-c3nccc(Nc4ccc(-c5cnn(COCC[Si](C)(C)C)c5)cc4)n3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.44
ROCK1 Q13464 2/20 0.43
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK2 P24941 7/20 0.34
CCNE1 P24864 5/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CCNA2 P20248 2/20 0.34
TTK P33981 2/20 0.34
IGF1R P08069 1/20 0.34
KDR P35968 1/20 0.33
FYN P06241 1/20 0.33

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
SCHEMBL28777011 0.88 ROCK2 (0.42) ROCK2ROCK1MEN1NPC1ALDH1A1
SCHEMBL28777015 0.87 ROCK2 (0.42) ROCK2ROCK1MEN1NPC1ALDH1A1
SCHEMBL29674607 0.87 ROCK2 (0.42) ROCK2ROCK1MEN1NPC1ALDH1A1
SCHEMBL16637704 0.85 ROCK2 (0.65) ROCK2ROCK1CDK2CCNE1CYP3A4
SCHEMBL29007155 0.85 LCK (0.45) ROCK2ROCK1NPC1ALDH1A1LMNA
SCHEMBL28777048 0.85 LCK (0.45) ROCK2ROCK1MEN1NPC1ALDH1A1
SCHEMBL29674711 0.81 MEN1 (0.43) ROCK2ROCK1MEN1NPC1ALDH1A1
SCHEMBL29674733 0.81 MEN1 (0.43) ROCK2ROCK1MEN1NPC1ALDH1A1
SCHEMBL24271321 0.79 KCNH2 (0.35) ROCK2ROCK1MEN1NPC1ALDH1A1
SCHEMBL16637607 0.79 ROCK2 (0.66) ROCK2ROCK1MEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220395501-A1 TREATMENT OF GVHD KADMON CORP LLC (US) 2022-12-15 US disclosed
US-11311541-B2 Treatment of GVHD KADMON CORPORATION, LLC (US) 2022-04-26 US disclosed
EP-3055301-B1 (2-(5-ISOINDOLIN-2-YL)PYRIMIDIN-4-YL)-AMINE DERIVATIVES AS RHO KINASE INHIBITORS FOR TREATING AUTOIMMUNE DISEASES KADMON CORP LLC (US) 2019-11-20 EP disclosed
US-10125144-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2018-11-13 US disclosed
US-20170112832-A1 TREATMENT OF GVHD KADMON CORPORATION, LLC 2017-04-27 US disclosed
US-20160237095-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2016-08-18 US disclosed
EP-3055301-A1 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2016-08-17 EP disclosed
WO-2015157556-A1 TREATMENT OF GVHD KADMON CORPORATION, LLC (US) 2015-10-15 WO disclosed
WO-2015054317-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2015-04-16 WO 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 (5 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-20160237095-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885MEN1 776/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885MEN1 776/4885
US-20170112832-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885MEN1 3586/4885
US-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 ROCK2 1/4885ROCK1 2/4885MEN1 3628/4885
US-11311541-B2 Treatment of GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885MEN1 3586/4885

“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.