SCHEMBL26072969

SCHEMBL26072969

CS(=O)(=O)c1ccc(-c2cc3cnc(Cl)cc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.53
▸ CDK5 Q00535 4/20 0.52
▸ CDK5R1 Q15078 4/20 0.52
▸ PRKDC P78527 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ATR Q13535 1/20 0.46
▸ PTGS2 P35354 7/20 0.42
▸ PTGS1 P23219 6/20 0.42
▸ KIT P10721 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MAPK14 Q16539 2/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CCNA2 P20248 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ TTK P33981 2/20 0.40

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
SCHEMBL26072975 0.78 KIT (0.44) CDK5CDK5R1PRKDCATMATR
SCHEMBL16331655 0.78 KDM4E (0.54) FYNCDK5CDK5R1CCNA2CDK2
SCHEMBL29396163 0.78 CDK5 (0.57) FYNCDK5CDK5R1PRKDCATM
SCHEMBL26072124 0.77 CDK5 (0.46) CDK5CDK5R1PTGS2PTGS1KIT
SCHEMBL26072889 0.77 CA12 (0.42) FYNCDK5CDK5R1PTGS2PTGS1
SCHEMBL26121412 0.77 PTGS2 (0.49) CDK5CDK5R1PRKDCATMATR
SCHEMBL8308055 0.76 MEN1 (0.60) CDK5CDK5R1PTGS2PTGS1CA12
SCHEMBL16331967 0.75 CDK2 (0.52) FYNATRCCNA2CDK2TTK
SCHEMBL8306238 0.75 CDK5 (0.60) FYNCDK5CDK5R1PRKDCATM
SCHEMBL8305443 0.74 CA12 (0.72) CDK5CDK5R1PRKDCATMATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 — — US 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 (1 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-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 FYN 2097/4885CDK5 3817/4885CDK5R1 2504/4885

“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.

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