SCHEMBL4517082

SCHEMBL4517082

Cn1cc(-c2ccc(N)nn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.48
SMARCA4 P51532 1/20 0.48
SCD O00767 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
STING1 Q86WV6 1/20 0.41
FYN P06241 2/20 0.40
AXL P30530 2/20 0.40
GRK5 P34947 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CHEK1 O14757 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL3410381 0.91 SMARCA2 (0.42) SMARCA2SMARCA4SCDSTING1FGFR3
SCHEMBL3416288 0.82 MET (0.49) FYNGRK5LRRK2CHEK1KDR
SCHEMBL13209251 0.80 MAPT (0.46) SMARCA2SMARCA4SCDMAPTMAPK1
SCHEMBL19370344 0.79 STING1 (0.43) SMARCA2SMARCA4SCDMAPTMAPK1
SCHEMBL509162 0.79 FGFR3 (0.47) SMARCA2SMARCA4SCDMAPTMAPK1
SCHEMBL29520095 0.79 FGFR3 (0.47) SMARCA2SMARCA4SCDMAPTMAPK1
SCHEMBL509607 0.78 SCD (0.42) SMARCA2SMARCA4SCDMAPTMAPK1
SCHEMBL24921987 0.77 MAPT (0.50) SMARCA2SMARCA4SCDMAPTMAPK1
SCHEMBL13209294 0.76 FYN (0.50) SMARCA2SMARCA4SCDMAPTMAPK1
SCHEMBL12940560 0.76 SCD (0.40) SMARCA2SMARCA4SCDMAPTMAPK1

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
WO-2016087586-A1 A DEUTERATED TRIAZOLOPYRIDAZINE AS A KINASE MODULATOR JANSSEN PHARMACEUTICA NV (BE) 2016-06-09 WO disclosed
US-8822468-B2 3-Methyl-imidazo[1,2-b]pyridazine derivatives NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8629144-B2 Polymorphic and hydrate forms, salts and process for preparing 6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline JANSSEN PHARMACEUTICA NV (BE) 2014-01-14 US disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 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 (1 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-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES MET, ERBB2, ALK SMARCA2 2517/4885SMARCA4 2469/4885SCD 4875/4885

“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.