SCHEMBL17194952

SCHEMBL17194952

Cc1nc(OC(C)C)cc(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 11/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.33
▸ NR1H2 P55055 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ PDE2A O00408 1/20 0.30

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
SCHEMBL26050422 0.86 MEN1 (0.36) MAPTMEN1CYP1A2POLBCYP2D6
SCHEMBL26049721 0.86 MAPT (0.37) MAPTMEN1CYP1A2POLBCYP2D6
SCHEMBL17194951 0.79 PDE2A (0.48) MEN1CYP1A2POLBKMT2ASMN1; SMN2
SCHEMBL17194885 0.76 MAPT (0.50) MAPTMEN1CYP1A2POLBCYP2D6
SCHEMBL12579013 0.75 HSD17B10 (0.45) HMGCRHSD17B10KDM4E
SCHEMBL12701526 0.75 PDE2A (0.48) MAPTMEN1CYP1A2POLBCYP2D6
SCHEMBL13248471 0.74 HMGCR (0.36) HMGCRSMN1; SMN2HSD17B10PDE2A
SCHEMBL9120337 0.73 NOS2 (0.38) MAPTMEN1CYP1A2POLBCYP2D6
SCHEMBL10220478 0.72 ALDH1A1 (0.36) HMGCR
SCHEMBL24359766 0.70 MEN1 (0.38) MAPTMEN1CYP1A2POLBCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 — — US disclosed
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2020-03-05 — — US disclosed
US-10000480-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-19 — — US disclosed
US-10000480-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-19 — — US disclosed
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2017-01-26 — — US disclosed
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2017-01-26 — — US disclosed
US-9505748-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-29 — — US disclosed
US-20150299183-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2015-10-22 — — 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 (5 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-10000480-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 HMGCR 3834/4885MAPT 3440/4885MEN1 3673/4885
US-20150299183-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 HMGCR 3834/4885MAPT 3440/4885MEN1 3673/4885
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 HMGCR 3834/4885MAPT 3440/4885MEN1 3673/4885
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 HMGCR 3834/4885MAPT 3440/4885MEN1 3673/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 HMGCR 3834/4885MAPT 3440/4885MEN1 3673/4885

“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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