SCHEMBL21084233

SCHEMBL21084233

Cc1cccc(-c2ccccc2-c2ccc3ncc(C(=O)NC4CC4)n3c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 1.00

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
SCHEMBL21083374 0.94 TGFBR1 (1.00) TGFBR1
SCHEMBL21084224 0.87 TGFBR1 (1.00) TGFBR1
SCHEMBL21083421 0.87 TGFBR1 (1.00) TGFBR1
SCHEMBL21083429 0.83 TGFBR1 (1.00) TGFBR1
SCHEMBL21083417 0.82 TGFBR1 (1.00) TGFBR1
SCHEMBL18069411 0.82 TGFBR1 (0.75) TGFBR1
SCHEMBL21083469 0.81 TGFBR1 (1.00) TGFBR1
SCHEMBL21084098 0.79 TGFBR1 (0.78) TGFBR1
SCHEMBL21083448 0.79 TGFBR1 (1.00) TGFBR1
SCHEMBL21084317 0.79 TGFBR1 (0.79) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11466003-B2 Nitrogenous heterocyclic aromatic compound, preparation method therefor, pharmaceutical composition thereof, and application thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2022-10-11 US disclosed
US-20210300916-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-09-30 US disclosed
EP-3492461-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2019-06-05 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 (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-11466003-B2 Nitrogenous heterocyclic aromatic compound, preparation method therefor, pharmaceutical composition thereof, and application thereof NOTUM, ALKBH5, PAH TGFBR1 613/4885
US-20210300916-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF NOTUM, ALKBH5, PAH TGFBR1 613/4885

“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.