SCHEMBL21016979

SCHEMBL21016979

Cc1cc(NC(C)(C)S)nc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ PDE4A P27815 1/20 0.38
▸ AGO2 Q9UKV8 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ TP53 P04637 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31

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
SCHEMBL12883359 0.83 POLB (0.43) POLBGAAPDE4AAGO2ALDH1A1
SCHEMBL26538070 0.77 MAPT (0.41) POLBGAAPDE4AAGO2ALDH1A1
SCHEMBL20355508 0.76 POLB (0.38) POLBGAAPDE4AAGO2ALDH1A1
SCHEMBL2722102 0.74 PDE4A (0.46) POLBGAAPDE4AAGO2ALDH1A1
SCHEMBL4915813 0.72 NOS3 (0.60) POLBGAAPDE4AAGO2ALDH1A1
SCHEMBL17700671 0.71 NUDT1 (0.42) POLBGAAPDE4AAGO2ALDH1A1
SCHEMBL12010925 0.68 PDE4A (0.53) POLBPDE4AAGO2ALDH1A1KDM4E
SCHEMBL15920456 0.68 PDE4A (0.39) POLBPDE4AAGO2ALDH1A1MAPT
SCHEMBL12262320 0.67 TRPM8 (0.45) POLBGAAPDE4AAGO2ALDH1A1
SCHEMBL12230238 0.67 MAPT (0.45) POLBGAAPDE4AAGO2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021462-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 — — US disclosed
US-20190152948-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2019-05-23 — — 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 (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-11021462-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 POLB 3486/4885GAA 4444/4885PDE4A 3194/4885
US-20190152948-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 POLB 3486/4885GAA 4444/4885PDE4A 3194/4885

“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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