SCHEMBL16637498

SCHEMBL16637498

COc1ccc2cn(-c3nccc(N)n3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.50
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
ROCK1 Q13464 2/20 0.42
RAB9A P51151 3/20 0.42
DYRK1A Q13627 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2A6 P11509 1/20 0.40
PLAU P00749 2/20 0.39
CYP19A1 P11511 1/20 0.39
EGFR P00533 2/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 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
SCHEMBL20769696 0.80 NQO1 (0.52) RAB9ACYP11B1CYP11B2CYP1A2CYP2A6
SCHEMBL22229790 0.80 PLAU (0.43) NCF1NOS3NOS1NOS2ROCK1
SCHEMBL16637714 0.75 ROCK2 (0.56) ROCK1RAB9AEGFRNPC1
SCHEMBL22229649 0.74 NOS3 (0.38) NCF1NOS3NOS1NOS2ROCK1
SCHEMBL16637499 0.73 ROCK2 (0.57) NCF1NOS3NOS1NOS2ROCK1
SCHEMBL16637613 0.73 ROCK2 (0.49) ROCK1RAB9AEGFRNPC1
SCHEMBL16637607 0.72 ROCK2 (0.66) ROCK1RAB9ACYP3A4CYP2D6CYP2C9
SCHEMBL1488532 0.67 NPC1 (0.59) NCF1NOS3NOS1NOS2RAB9A
SCHEMBL1598487 0.67 NCF1 (1.00) NCF1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL9848539 0.67 ALDH1A1 (0.51) NOS3NOS1NOS2RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034127-A1 TREATMENT OF GVHD KADMON CORP LLC (FR) 2026-02-05 US disclosed
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 (6 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 NCF1 3190/4885NOS3 544/4885NOS1 292/4885
US-20260034127-A1 TREATMENT OF GVHD ROCK2, RHOA, MYH2 NCF1 1185/4885NOS3 1600/4885NOS1 1773/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA NCF1 3190/4885NOS3 544/4885NOS1 292/4885
US-20170112832-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOA NCF1 301/4885NOS3 615/4885NOS1 682/4885
US-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 NCF1 334/4885NOS3 734/4885NOS1 1026/4885
US-11311541-B2 Treatment of GVHD ROCK2, ROCK1, RHOA NCF1 301/4885NOS3 615/4885NOS1 682/4885

“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.