SCHEMBL3601281

SCHEMBL3601281

Cc1cc2c(CNc3ccc(F)c(C#N)c3)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
IDH1 O75874 10/20 0.42
VCP P55072 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
PLA2G1B P04054 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
LMNA P02545 1/20 0.36
HTR2C P28335 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
SCHEMBL3601446 0.80 LRRK2 (0.37) LRRK2IDH1MAPTGAACYP2D6
SCHEMBL3588746 0.76 MAPT (0.51) VCPMAPTGAAPLA2G1BCYP1A2
SCHEMBL3601280 0.76 GRM4 (0.50) LRRK2VCPMAPT
SCHEMBL3595867 0.70 MAPT (0.51) MAPTGAALMNA
SCHEMBL5729594 0.70 GAA (0.46) MAPTGAACYP1A2
SCHEMBL30265966 0.70 GAA (0.46) MAPTGAACYP1A2
SCHEMBL22273618 0.69 MAP3K8 (0.53) LRRK2CDK9MAPTGAAABCG2
SCHEMBL6483228 0.68 MAPT (0.51) LRRK2MAPTGAAPLA2G1BCYP1A2
SCHEMBL20291739 0.67 MAPT (0.49) IDH1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6987658 0.67 CYP1A2 (0.44) MAPTGAACYP1A2LMNA

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 2836/4885IDH1 1589/4885VCP 3745/4885

“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.