SCHEMBL3144880

SCHEMBL3144880

Cc1nc(N)ccc1CNC(=O)[CH]Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.50
KLKB1 P03952 6/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3149587 0.86 SLC6A2 (0.41) F2TSHRSMN1; SMN2
SCHEMBL3157640 0.81 KLKB1 (0.46) F2KLKB1PRSS1PRSS2PRSS3
SCHEMBL3140763 0.79 TSHR (0.44) TSHRSMN1; SMN2
SCHEMBL3154741 0.79 F2 (0.58) F2KLKB1
SCHEMBL3149590 0.79 F2 (0.58) F2KLKB1
SCHEMBL3155052 0.79 F2 (0.53) F2KLKB1PRSS1PRSS2PRSS3
SCHEMBL4311692 0.73 F2 (0.50) F2KLKB1PRSS1PRSS2PRSS3
SCHEMBL4302153 0.73 F2 (0.50) F2KLKB1PRSS1PRSS2PRSS3
SCHEMBL3153760 0.72 F2 (0.52) F2KLKB1PRSS1PRSS2PRSS3
SCHEMBL1432494 0.72 F2 (0.51) F2

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 F2 1046/4885KLKB1 3491/4885PRSS1 1557/4885

“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.