SCHEMBL3601280

SCHEMBL3601280

Cc1cc2c(C(=O)Nc3ccc(F)c(C#N)c3)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.50
LRRK2 Q5S007 3/20 0.43
VCP P55072 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KDR P35968 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL3601444 0.80 VCP (0.46) VCPKMT2AMEN1MAPTMAOB
SCHEMBL16127874 0.78 GRM4 (0.63) GRM4KMT2AMEN1MAPT
SCHEMBL3588744 0.77 MAOB (0.55) VCPKMT2AMEN1MAPTMAOA
SCHEMBL3601281 0.76 LRRK2 (0.43) LRRK2VCPMAPT
SCHEMBL17531737 0.75 GRM4 (0.63) GRM4KMT2AMEN1MAPT
SCHEMBL21844863 0.73 KCNK3 (0.61) GRM4KMT2AMEN1RXFP1
SCHEMBL20459126 0.72 GRM4 (0.53) GRM4LRRK2KMT2AMEN1
SCHEMBL21408403 0.71 GRM4 (0.52) GRM4LRRK2
SCHEMBL30093989 0.71 GRM4 (0.52) GRM4LRRK2
SCHEMBL3595864 0.71 VCP (0.50) VCPKMT2AMEN1MAPTRXFP1

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 2 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
US-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS ARISTA LUCA 2010-02-25 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-20100048579-A1 PYRIDAZINE-, PYRIDINE- AND PYRANE-DERIVATIVES AS GPBAR1 AGONISTS GPBAR1, GPER1, ADRB1 GRM4 244/4885LRRK2 2836/4885VCP 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.