SCHEMBL17194992

SCHEMBL17194992

Cc1nnc(-c2cccc(C(C)(C)C)c2C)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.45
BRD4 O60885 1/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
NOTUM Q6P988 3/20 0.41
TRPV1 Q8NER1 1/20 0.38
S1PR1 P21453 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL18415083 0.81 SMN1; SMN2 (0.43) PDK2BRD4RAB9ASMN1; SMN2NPC1
SCHEMBL21091606 0.79 RAB9A (0.57) PDK2BRD4RAB9ASMN1; SMN2NPC1
SCHEMBL18367710 0.72 BRD4 (0.39) BRD4NOTUMCA2GABRA1GABRB2
SCHEMBL10034982 0.71 RAB9A (0.80) PDK2BRD4RAB9ASMN1; SMN2NPC1
SCHEMBL23451947 0.70 NOTUM (0.58) PDK2RAB9ASMN1; SMN2NPC1CASP3
SCHEMBL10315085 0.69 ALOX15 (0.64) PDK2BRD4RAB9ASMN1; SMN2NPC1
SCHEMBL2352749 0.69 RAB9A (0.50) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL5061063 0.69 CA2 (0.57) SMN1; SMN2ALDH1A1TSHRCA2CA1
SCHEMBL4230324 0.68 NPC1 (0.65) PDK2BRD4RAB9ASMN1; SMN2NPC1
SCHEMBL17194969 0.68 CA2 (0.39) BRD4NPC1NOTUMALDH1A1TSHR

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-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-9987266-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-05 US disclosed
US-20170209426-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFNalpha RESPONSES BRISTOL MYERS SQUIBB CO (US) 2017-07-27 US disclosed
US-9663467-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 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-20160280649-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFNalpha RESPONSES BRISTOL MYERS SQUIBB CO (US) 2016-09-29 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 PDK2 1032/4885BRD4 354/4885RAB9A 2002/4885
US-20150299183-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 PDK2 1032/4885BRD4 354/4885RAB9A 2002/4885
US-20160280649-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFNalpha RESPONSES TYK2, IFNAR1, IFNG PDK2 1147/4885BRD4 341/4885RAB9A 2320/4885
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 PDK2 1032/4885BRD4 354/4885RAB9A 2002/4885
US-20170209426-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFNalpha RESPONSES IFNAR1, TYK2, IFNG PDK2 1022/4885BRD4 351/4885RAB9A 2115/4885

“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.