SCHEMBL29620261

SCHEMBL29620261

CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(Cl)cc2F)N=C(c2ccnc(Cl)c2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 20/20 1.00
CYP3A4 P08684 7/20 1.00
CYP2D6 P10635 7/20 1.00
RPS6KB1 P23443 4/20 1.00
RPS6KA1 Q15418 4/20 1.00
CYP2C9 P11712 3/20 1.00
ROCK2 O75116 1/20 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
SCHEMBL4932798 1.00 ROCK1 (1.00) ROCK1CYP3A4CYP2D6RPS6KB1RPS6KA1
SCHEMBL4936335 0.94 ROCK1 (1.00) ROCK1CYP3A4CYP2D6RPS6KB1RPS6KA1
SCHEMBL4935013 0.91 ROCK1 (1.00) ROCK1CYP3A4CYP2D6RPS6KB1RPS6KA1
SCHEMBL4937845 0.91 ROCK1 (0.83) ROCK1CYP3A4CYP2D6RPS6KB1RPS6KA1
SCHEMBL4935272 0.90 ROCK1 (1.00) ROCK1CYP3A4CYP2D6RPS6KB1RPS6KA1
SCHEMBL4935363 0.89 ROCK1 (1.00) ROCK1CYP3A4CYP2D6RPS6KB1RPS6KA1
SCHEMBL4935665 0.86 ROCK1 (0.76) ROCK1CYP3A4CYP2D6RPS6KB1RPS6KA1
SCHEMBL4933911 0.86 ROCK1 (0.83) ROCK1CYP3A4CYP2D6RPS6KB1RPS6KA1
SCHEMBL4934586 0.85 ROCK1 (0.74) ROCK1CYP3A4CYP2D6RPS6KB1RPS6KA1
SCHEMBL4933946 0.85 ROCK1 (0.83) ROCK1CYP3A4CYP2D6RPS6KB1RPS6KA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250312332-A1 TREATMENT OF MUSCLE FIBROSIS FUNDACIÓ INSTITUT DE RECERCA DE L'HOSPITAL DE LA SANTA CREU I SANT PAU (ES) 2025-10-09 US claimed
WO-2023223519-A1 METHOD FOR DEACTIVATING ACTIVATED STELLATE CELLS ISM株式会社 2023-11-23 WO claimed
WO-2023199010-A1 TREATMENT OF MUSCLE FIBROSIS UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2023-10-19 WO claimed
US-20250312332-A1 TREATMENT OF MUSCLE FIBROSIS FUNDACIÓ INSTITUT DE RECERCA DE L'HOSPITAL DE LA SANTA CREU I SANT PAU (ES) 2025-10-09 US disclosed
WO-2025094914-A1 TRANSPLANTATION DEVICE CAPABLE OF ENCAPSULATING CELLS THEREIN AND USE THEREOF 株式会社VC Cell Therapy 2025-05-08 WO disclosed
US-20240400983-A1 CELL AGGREGATE INCLUDING PITUITARY HORMONE-PRODUCING CELLS AND METHOD FOR PRODUCING SAME Sumitomo Pharma Co., Ltd. (JP) 2024-12-05 US disclosed
CN-113490528-B 3- (1-Oxo-5- (piperidin-4-yl) isoindolin-2-yl) piperidine-2, 6-dione derivatives and uses thereof 诺华股份有限公司 2024-12-03 CN disclosed
US-20240392241-A1 METHOD FOR PRODUCING CELL MASS INCLUDING PITUITARY TISSUE AND CELL MASS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-11-28 US disclosed
WO-2024171957-A1 TRANSPLANTATION OF PITUITARY HORMONE-PRODUCING CELLS 国立大学法人東海国立大学機構 2024-08-22 WO disclosed
EP-4410962-A1 CELL AGGREGATE INCLUDING PITUITARY HORMONE-PRODUCING CELLS AND METHOD FOR PRODUCING SAME Sumitomo Pharma Co., Ltd. (JP) 2024-08-07 EP disclosed
EP-4410963-A1 METHOD FOR PRODUCING CELL MASS INCLUDING PITUITARY TISSUE AND CELL MASS Sumitomo Chemical Company, Limited (JP) 2024-08-07 EP disclosed
CN-116731967-A Method for preparing macrophage from multipotent stem cells by induced differentiation 南京大学 2023-09-12 CN disclosed
EP-4214239-A1 COMPOSITIONS AND METHODS FOR OVERCOMING DR5-INDUCED IMMUNE EVASION BY SOLID TUMORS University of Virginia Patent Foundation (US) 2023-07-26 EP disclosed
US-20230149295-A1 INFLAMMATORY BOWEL DISEASE STEM CELLS, AGENTS WHICH TARGET IBD STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2023-05-18 US disclosed
WO-2023054396-A1 METHOD FOR PRODUCING CELL MASS INCLUDING PITUITARY TISSUE AND CELL MASS 住友化学株式会社 2023-04-06 WO disclosed
WO-2023054395-A1 CELL AGGREGATE INCLUDING PITUITARY HORMONE-PRODUCING CELLS AND METHOD FOR PRODUCING SAME 住友ファーマ株式会社 2023-04-06 WO disclosed
EP-4117718-A1 INFLAMMATORY BOWEL DISEASE STEM CELLS, AGENTS WHICH TARGET IBD STEM CELLS, AND USES RELATED THERETO University of Houston System (US) 2023-01-18 EP disclosed
WO-2023277135-A1 METHOD FOR PRODUCING CELLS CONSTITUTING NASAL EPITHELIUM, AND CELL POPULATION INCLUDING CELLS CONSTITUTING NASAL EPITHELIUM OR PROGENITOR CELLS THEREOF 住友化学株式会社 2023-01-05 WO disclosed
WO-2022230977-A1 CORD-LIKE AGGREGATES OF RETINAL PIGMENT EPITHELIAL CELLS, DEVICE AND PRODUCTION METHOD FOR PRODUCING SAME, AND THERAPEUTIC AGENT COMPRISING SAID CORD-LIKE AGGREGATES 国立研究開発法人理化学研究所 2022-11-03 WO disclosed
WO-2022081869-A1 COMPOSITIONS AND METHODS FOR OVERCOMING DR5-INDUCED IMMUNE EVASION BY SOLID TUMORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-04-21 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-20250312332-A1 TREATMENT OF MUSCLE FIBROSIS RHOA, MYLK2, MYLK ROCK1 4/4885CYP3A4 4737/4885CYP2D6 4664/4885
US-20230149295-A1 INFLAMMATORY BOWEL DISEASE STEM CELLS, AGENTS WHICH TARGET IBD STEM CELLS, AND USES RELATED THERETO EPCAM, FABP2, TPMT ROCK1 2536/4885CYP3A4 3749/4885CYP2D6 4369/4885

“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.