SCHEMBL18143589

SCHEMBL18143589

CN(C)C(=O)c1cnc(-n2cccc(NC(=O)O)c2=O)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 8/20 0.55
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TGFBR1 P36897 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL16812533 0.87 TYK2 (0.56) TYK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21227386 0.86 TYK2 (0.55) TYK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL16812418 0.81 TYK2 (0.54) TYK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL18143588 0.78 JAK1 (0.47) TYK2ALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL16794689 0.73 TYK2 (0.40) TYK2ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL20687718 0.72 TYK2 (1.00) TYK2
SCHEMBL16794644 0.72 TYK2 (0.50) TYK2ALDH1A1HPGDKDM4EGAA
SCHEMBL21238683 0.72 TYK2 (0.66) TYK2JAK1
SCHEMBL18143580 0.71 TYK2 (0.46) TYK2ALDH1A1HPGDKDM4EKMT2A
SCHEMBL20688124 0.70 TYK2 (0.42) TYK2KDM4ESMN1; SMN2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-30 — — US disclosed
EP-3080131-B1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2018-10-10 — — EP disclosed
US-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2016-10-20 — — 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-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES TYK2, IFNAR1, JAK3 TYK2 1/4885ALDH1A1 3902/4885HPGD 2781/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 TYK2 1/4885ALDH1A1 3863/4885HPGD 2849/4885

“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.

Send feedback