SCHEMBL3227760

SCHEMBL3227760

C#Cc1cc(C#N)ccc1[CH2]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
PNMT P11086 1/20 0.35
CYP2A6 P11509 3/20 0.33
CA2 P00918 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CASP3 P42574 1/20 0.33
CA1 P00915 2/20 0.32
STS P08842 1/20 0.31
TSHR P16473 1/20 0.31
VCAM1 P19320 1/20 0.31
ENPP2 Q13822 2/20 0.31
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL1311361 0.85 IMPDH2 (0.41) IMPDH2IMPDH1DRD2DRD3PNMT
SCHEMBL20364829 0.78 IMPDH2 (0.39) IMPDH2IMPDH1DRD2DRD3PNMT
SCHEMBL31352953 0.78 IMPDH2 (0.39) IMPDH2IMPDH1DRD2DRD3PNMT
SCHEMBL17672451 0.75 ALDH1A1 (0.40) IMPDH2IMPDH1DRD2DRD3PNMT
SCHEMBL1794400 0.75 VCAM1 (0.46) IMPDH2IMPDH1DRD2DRD3PNMT
SCHEMBL23977435 0.75 CA12 (0.43) IMPDH2IMPDH1DRD2DRD3PNMT
SCHEMBL2713742 0.75 MPO (0.38) IMPDH2IMPDH1DRD2DRD3PNMT
SCHEMBL16620846 0.75 FFAR1 (0.44) IMPDH2IMPDH1DRD2DRD3PNMT
SCHEMBL3032751 0.74 CYP2A6 (0.46) IMPDH2IMPDH1CYP2A6CA2ALDH1A1
SCHEMBL5642351 0.71 IMPDH2 (0.41) IMPDH2IMPDH1DRD2DRD3PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 IMPDH2 1831/4885IMPDH1 1248/4885DRD2 278/4885

“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.