SCHEMBL3341997

SCHEMBL3341997

Nc1ccc(Oc2nccnc2C2=CCN(C(=O)O)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.40
PDE10A Q9Y233 3/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BTK Q06187 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL2512233 0.85 TNK2 (0.53) TNK2PDE10ABTK
SCHEMBL3342007 0.81
SCHEMBL3340946 0.75 PDE10A (0.64) PDE10A
SCHEMBL4014684 0.74 PDE10A (0.56) PDE10AALDH1A1SMN1; SMN2BTK
SCHEMBL27911596 0.74 ALDH1A1 (0.49) TNK2ALDH1A1SMN1; SMN2TRPV1
SCHEMBL27762102 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL4008464 0.73 PDE10A (0.51) PDE10AALDH1A1SMN1; SMN2TRPV1
SCHEMBL23235670 0.72 ALDH1A1 (0.43) TNK2PDE10AALDH1A1SMN1; SMN2TRPV1
SCHEMBL3344262 0.72 PDE10A (0.57) PDE10A
SCHEMBL2486508 0.71 PDE10A (0.41) PDE10AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
EP-2376455-B1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 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-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D TNK2 1871/4885PDE10A 10/4885ALDH1A1 1600/4885

“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.