SCHEMBL21016972

SCHEMBL21016972

CNC(=O)C1Cc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.52
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
ACKR3 P25106 1/20 0.40
KCNQ2 O43526 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
F2 P00734 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10469672 0.82 PIN1 (0.54) ACKR3KCNQ2PIN1PDPK1
SCHEMBL23768192 0.81 P2RX7 (0.49) P2RX7HDAC4HDAC7HDAC5ACKR3
SCHEMBL26534229 0.81 ACKR3 (0.53) P2RX7HDAC4HDAC7HDAC5ACKR3
SCHEMBL31613076 0.80 PRMT5 (0.52) KCNQ2MEN1KMT2A
SCHEMBL10467510 0.80 PRMT5 (0.52) KCNQ2MEN1KMT2A
SCHEMBL3412231 0.80 PRMT5 (0.52) KCNQ2MEN1KMT2A
SCHEMBL13979540 0.79 P2RX7 (0.45) P2RX7HDAC4HDAC7HDAC5MTNR1A
SCHEMBL3136218 0.78 P2RX7 (0.46) P2RX7HDAC4HDAC7HDAC5MTNR1A
SCHEMBL14014153 0.77 NPC1 (0.54) P2RX7ACKR3MEN1KMT2A
SCHEMBL2083786 0.76 ALDH1A1 (0.53) P2RX7HDAC4HDAC7HDAC5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2021-08-19 US disclosed
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 (4 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 P2RX7 1667/4885HDAC4 1358/4885HDAC7 1414/4885
US-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 P2RX7 1667/4885HDAC4 1358/4885HDAC7 1414/4885
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 P2RX7 1667/4885HDAC4 1358/4885HDAC7 1414/4885
US-20190152948-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 P2RX7 1667/4885HDAC4 1358/4885HDAC7 1414/4885

“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.