SCHEMBL20520106

SCHEMBL20520106

Cc1cc(N2CC[C@H](NC(=O)O)C2)ncc1Br

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
CA12 O43570 11/20 0.43
CA1 P00915 11/20 0.43
CA2 P00918 11/20 0.43
CA4 P22748 11/20 0.43
CA7 P43166 11/20 0.43
CA9 Q16790 11/20 0.43
SMPD3 Q9NY59 1/20 0.41
SMO Q99835 3/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
AKT1 P31749 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
SCHEMBL20524392 1.00 TRPV1 (0.44) TRPV1TRPM8CA12CA1CA2
SCHEMBL20520072 0.85 SUV39H2 (0.51) JAK3
SCHEMBL15206576 0.80 TRPV1 (0.50) TRPV1TRPM8CA12CA1CA2
SCHEMBL15205294 0.80 TRPV1 (0.50) TRPV1TRPM8CA12CA1CA2
SCHEMBL997974 0.80 TRPV1 (0.50) TRPV1TRPM8CA12CA1CA2
SCHEMBL25200345 0.79 KDM4E (0.50) JAK2JAK1TYK2JAK3
SCHEMBL20520145 0.78 USP30 (0.39) CA12CA1CA2CA4CA7
SCHEMBL4278748 0.77 GPBAR1 (0.47) CA12CA1CA2CA4CA7
SCHEMBL20445994 0.77 SMPD3 (0.42) TRPV1CA12CA1CA2CA4
SCHEMBL28364264 0.76 JAK2 (0.40) SMOJAK2JAK1TYK2JAK3

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
EP-3601284-B1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-12-27 EP disclosed
US-11034692-B1 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2021-06-15 US disclosed
EP-3601284-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 US disclosed
US-20180282328-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 US disclosed
WO-2018183956-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 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 (3 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-10407424-B2 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 TRPV1 4749/4885TRPM8 4564/4885CA12 4882/4885
US-20180282328-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 NEK1, NEK5, NEK11 TRPV1 4749/4885TRPM8 4564/4885CA12 4882/4885
US-11034692-B1 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 TRPV1 4749/4885TRPM8 4564/4885CA12 4882/4885

“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.