SCHEMBL16812412

SCHEMBL16812412

Nc1cccn(-c2nc3ccccc3[nH]2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ PAX8 Q06710 2/20 0.50
▸ ALKBH3 Q96Q83 3/20 0.48
▸ AURKA O14965 2/20 0.48
▸ PLAUR Q03405 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ GAA P10253 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MASP2 O00187 1/20 0.45

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
SCHEMBL15190212 0.78 AURKA (0.53) KDM4ENPC1RAB9APAX8ALKBH3
SCHEMBL21702915 0.74 HTT (0.49) KDM4ENPC1RAB9APLAURSMN1; SMN2
SCHEMBL19178132 0.70 ALKBH3 (0.53) KDM4ENPC1RAB9APAX8ALKBH3
SCHEMBL16463040 0.70 AURKA (0.57) KDM4ENPC1RAB9APAX8ALKBH3
SCHEMBL924437 0.69 AURKA (0.53) KDM4ENPC1RAB9APAX8ALKBH3
SCHEMBL3389271 0.69 BCHE (0.56) KDM4ENPC1RAB9APAX8ALKBH3
SCHEMBL29110623 0.68 AURKA (0.55) KDM4ENPC1RAB9APAX8ALKBH3
SCHEMBL861076 0.68 ALDH1A1 (0.49) KDM4ENPC1RAB9APAX8ALKBH3
SCHEMBL7017150 0.68 HTR3A (0.58) KDM4ENPC1RAB9APAX8ALKBH3
SCHEMBL20472708 0.67 BCHE (0.54) KDM4ENPC1RAB9APAX8ALKBH3

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 4 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
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
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
WO-2015089143-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-18 — — WO 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 KDM4E 2559/4885NPC1 4877/4885RAB9A 2405/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 KDM4E 2453/4885NPC1 4873/4885RAB9A 2273/4885

“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