SCHEMBL21016491

SCHEMBL21016491

CC(C)(C)Nc1ccc(-c2c(F)cccc2F)nn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 8/20 0.39
▸ KMO O15229 2/20 0.38
▸ NPC1 O15118 6/20 0.36
▸ RAB9A P51151 6/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ IDH2 P48735 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ TNF P01375 1/20 0.32

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
SCHEMBL21016493 0.81 KMO (0.40) KMONPC1RAB9AALDH1A1MAPT
SCHEMBL21017428 0.74 NPC1 (0.47) NPC1RAB9ASMN1; SMN2
SCHEMBL21016974 0.72 ATM (0.34) IL1B
SCHEMBL13736468 0.71 MET (0.35) KMORORC
SCHEMBL12883364 0.66 SORT1 (0.37) IL1BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12288255 0.66 CCNE2 (0.47) MAPT
SCHEMBL23768075 0.66 IDH1 (0.40) IL1BIDH1IDH2
SCHEMBL13950530 0.65 ATM (0.42) ALDH1A1MAPTSMN1; SMN2KMT2AIDH1
SCHEMBL12883372 0.65 MAPT (0.54) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL21016964 0.65 IDH1 (0.39) NPC1RAB9AMAPTMEN1KMT2A

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 5 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-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 IL1B 120/4885KMO 1027/4885NPC1 4857/4885
US-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 IL1B 120/4885KMO 1027/4885NPC1 4857/4885
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 IL1B 120/4885KMO 1027/4885NPC1 4857/4885
US-20190152948-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 IL1B 120/4885KMO 1027/4885NPC1 4857/4885

“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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