SCHEMBL20519345

SCHEMBL20519345

Cc1cc(C)c(C(N)=O)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.42
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.38
HPGD P15428 3/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAP2K1 Q02750 1/20 0.36
JAK2 O60674 1/20 0.36
BTK Q06187 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ERN1 O75460 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL29098260 0.91 NNMT (0.42) NNMTSIRT3TDP1DGAT1HPGD
SCHEMBL34471843 0.84 NNMT (0.48) NNMTSIRT3TDP1MKNK1MKNK2
SCHEMBL19269478 0.83 MAPK1 (0.39) NNMTSIRT3TDP1DGAT1MAP2K1
SCHEMBL11866432 0.83 ALDH1A1 (0.38) NNMTSIRT3TDP1DGAT1HPGD
SCHEMBL22468532 0.82 DGAT1 (0.52) NNMTSIRT3TDP1DGAT1MAP2K1
SCHEMBL4638397 0.81 NNMT (0.47) NNMTSIRT3TDP1MKNK1MKNK2
SCHEMBL7083041 0.81 NNMT (0.50) NNMTSIRT3TDP1HPGDMKNK1
SCHEMBL14924942 0.80 SMN1; SMN2 (0.46) HPGDTSHR
SCHEMBL155337 0.80 LCK (0.44) HPGDTSHR
SCHEMBL29693917 0.80 LCK (0.44) HPGDTSHR

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 10 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
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
US-11034692-B1 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2021-06-15 US 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
CN-110678466-A Naphthyridines as HPK1 inhibitors 豪夫迈·罗氏有限公司 2020-01-10 CN disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 US 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 NNMT 740/4885SIRT3 3552/4885TDP1 1150/4885
US-20180282328-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 NEK1, NEK5, NEK11 NNMT 740/4885SIRT3 3552/4885TDP1 1150/4885
US-11034692-B1 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 NNMT 740/4885SIRT3 3552/4885TDP1 1150/4885

“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.