SCHEMBL2801740

SCHEMBL2801740

CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 18/20 1.00
RPS6KA1 Q15418 9/20 1.00
RPS6KB1 P23443 8/20 1.00
ROCK2 O75116 1/20 1.00
GPBAR1 Q8TDU6 1/20 0.45
GRK2 P25098 4/20 0.45
GRK5 P34947 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44

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
SCHEMBL29366060 1.00 ROCK1 (1.00) ROCK1RPS6KA1RPS6KB1ROCK2GPBAR1
SCHEMBL3883866 0.90 ROCK1 (0.81) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL3884436 0.90 ROCK1 (0.81) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL3886366 0.90 ROCK1 (0.81) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL3884422 0.90 ROCK1 (0.81) ROCK1RPS6KA1RPS6KB1ROCK2GPBAR1
SCHEMBL3884121 0.90 ROCK1 (0.81) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL3888074 0.88 ROCK1 (0.79) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL3897868 0.88 ROCK1 (0.78) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL3864374 0.87 ROCK1 (0.77) ROCK1RPS6KA1RPS6KB1ROCK2GRK2
SCHEMBL3883513 0.86 ROCK1 (1.00) ROCK1RPS6KA1RPS6KB1ROCK2GRK2

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 252 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692329-A1 COMPOSITION FOR INDUCING DIRECT DIFFERENTIATION OF STEM CELLS INTO CORNEAL ENDOTHELIAL CELLS AND METHOD FOR INDUCING DIRECT DIFFERENTIATION USING SAME The Asan Foundation (KR) 2026-02-11 EP claimed
EP-4636079-A1 METHOD FOR INDUCING DIFFERENTIATION OF STEM CELLS INTO CORNEAL ENDOTHELIAL CELLS AND USE THEREOF The Asan Foundation (KR) 2025-10-22 EP claimed
US-12371664-B2 Medium for direct differentiation of pluripotent stem cell-derived mesenchymal stem cell, method for preparing mesenchymal stem cell by using same, and mesenchymal stem cell prepared thereby CHA BIOTECH CO., LTD. (KR) 2025-07-29 US claimed
WO-2024210619-A1 COMPOSITION FOR INDUCING DIRECT DIFFERENTIATION OF STEM CELLS INTO CORNEAL ENDOTHELIAL CELLS AND METHOD FOR INDUCING DIRECT DIFFERENTIATION USING SAME 재단법인 아산사회복지재단 2024-10-10 WO claimed
US-20210340498-A1 MEDIUM FOR DIRECT DIFFERENTIATION OF PLURIPOTENT STEM CELL-DERIVED MESENCHYMAL STEM CELL, METHOD FOR PREPARING MESENCHYMAL STEM CELL BY USING SAME, AND MESENCHYMAL STEM CELL PREPARED THEREBY CHA BIOTECH CO., LTD. (KR) 2021-11-04 US claimed
EP-3848455-A1 MEDIUM FOR DIRECT DIFFERENTIATION OF PLURIPOTENT STEM CELL-DERIVED MESENCHYMAL STEM CELL, METHOD FOR PREPARING MESENCHYMAL STEM CELL BY USING SAME, AND MESENCHYMAL STEM CELL PREPARED THEREBY CHA Biotech Co., Ltd. (KR) 2021-07-14 EP claimed
CN-112996903-A Culture medium for directly differentiating pluripotent stem cell-derived mesenchymal stem cells, method for preparing mesenchymal stem cells by using culture medium and mesenchymal stem cells prepared by using culture medium 车比奥泰有限公司 2021-06-18 CN claimed
US-20200140827-A1 A SUBSTRATE AND METHOD FOR THE GENERATION OF INDUCED PLURIPOTENT STEM CELLS THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2020-05-07 US claimed
EP-3630953-A1 A SUBSTRATE AND METHOD FOR THE GENERATION OF INDUCED PLURIPOTENT STEM CELLS The Queen's University Of Belfast (GB) 2020-04-08 EP claimed
WO-2018220081-A1 A SUBSTRATE AND METHOD FOR THE GENERATION OF INDUCED PLURIPOTENT STEM CELLS THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2018-12-06 WO claimed
US-20160230142-A1 CORNEAL STROMAL KERATOCYTE CULTURE SINGAPORE HEALTH SERVICES PTE LTD (SG) 2016-08-11 US claimed
EP-3047018-A1 CORNEAL STROMAL KERATOCYTE CULTURE Singapore Health Services Pte Ltd (SG) 2016-07-27 EP claimed
WO-2015041606-A1 CORNEAL STROMAL KERATOCYTE CULTURE SINGAPORE HEALTH SERVICES PTE LTD (SG) 2015-03-26 WO claimed
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US claimed
EP-1718638-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP claimed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US claimed
EP-1718638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP claimed
WO-2005082890-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 WO claimed
US-20260124250-A1 METHODS FOR SELECTING CULTURED CORNEAL ENDOTHELIAL CELLS UNIV MAASTRICHT (NL) 2026-05-07 US disclosed
WO-2005082890-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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 (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-20260124250-A1 METHODS FOR SELECTING CULTURED CORNEAL ENDOTHELIAL CELLS TAGLN2, CNN2, TMIGD3 ROCK1 810/4885RPS6KA1 3410/4885RPS6KB1 2954/4885
US-20080058384-A1 Novel Compounds ARHGDIB, TNK2, ROCK2 ROCK1 6/4885RPS6KA1 304/4885RPS6KB1 195/4885

“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.