SCHEMBL3601446

SCHEMBL3601446

Cc1cc2c(CNc3ccc(F)cc3C#N)cccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
IDH1 O75874 2/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
NTRK1 P04629 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL3595867 0.84 MAPT (0.51) MAPTALDH1A1MAPK1KEAP1NFE2L2
SCHEMBL3601281 0.80 LRRK2 (0.43) LRRK2MAPTIDH1GAACYP2D6
SCHEMBL3601444 0.76 VCP (0.46) MAPTALDH1A1MAPK1KEAP1NFE2L2
SCHEMBL29546626 0.73 KDM4E (0.41) LRRK2MAPTALDH1A1MAPK1IDH1
SCHEMBL5729594 0.70 GAA (0.46) MAPTALDH1A1PRKCQPRKCDNR3C1
SCHEMBL30265966 0.70 GAA (0.46) MAPTALDH1A1PRKCQPRKCDNR3C1
SCHEMBL20291739 0.67 MAPT (0.49) MAPTALDH1A1IDH1NTRK1KMT2A
SCHEMBL3588746 0.66 MAPT (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL26278104 0.66 KEAP1 (0.38) MAPTALDH1A1KEAP1NFE2L2PRKCQ
SCHEMBL14531557 0.65 DAO (0.60) MAPTALDH1A1KEAP1NFE2L2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US claimed
EP-2146970-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS Novartis Ag (CH) 2010-01-27 EP claimed
WO-2008125627-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS NOVARTIS AG (CH) 2008-10-23 WO claimed
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 US disclosed
EP-2146970-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS Novartis Ag (CH) 2010-01-27 EP disclosed
WO-2008125627-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISIS NOVARTIS AG (CH) 2008-10-23 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 (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-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS GPBAR1, GPER1, ADRB1 LRRK2 2836/4885MAPT 3054/4885ALDH1A1 558/4885

“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.