SCHEMBL21016493

SCHEMBL21016493

CNc1ccc(-c2c(F)cccc2F)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.40
▸ NPC1 O15118 6/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ RORC P51449 2/20 0.34

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
SCHEMBL21016491 0.81 IL1B (0.39) KMONPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13736468 0.75 MET (0.35) KMORORCDHODHF2RL3
SCHEMBL2404530 0.71 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL30947972 0.70 ALDH1A1 (0.31) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL13735025 0.70 ALDH1A1 (0.31) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL22695112 0.69 IL1B (0.55) —
SCHEMBL29552322 0.68 MAPT (0.43) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL19153613 0.67 KDM4E (0.67) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL18038684 0.66 FYN (0.50) KMONPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29552200 0.66 TTR (0.44) KMOKMT2ADHODH

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 KMO 1027/4885NPC1 4857/4885RAB9A 2482/4885
US-20190152948-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 KMO 1027/4885NPC1 4857/4885RAB9A 2482/4885

“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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