SCHEMBL5365213

SCHEMBL5365213

CC(=O)Nc1ccc2c(C)cc(Cl)nc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.51
PTK2 Q05397 1/20 0.43
SCN9A Q15858 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
ADORA3 P0DMS8 6/20 0.40
ADORA1 P30542 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
ADORA2B P29275 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SORT1 Q99523 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL11491259 0.85 XIAP (0.68) XIAPADORA3ADORA1KDM4ELMNA
SCHEMBL5363593 0.84 XIAP (0.52) XIAPPTK2SCN9ASCN2ASCN3A
SCHEMBL25174407 0.81 ALDH1A1 (0.46) XIAPPTK2SCN9ASCN2ASCN3A
SCHEMBL29989882 0.81 ALDH1A1 (0.46) XIAPPTK2SCN9ASCN2ASCN3A
SCHEMBL11711087 0.76 PTK2 (0.49) PTK2SCN9ASCN2ASCN3ASCN10A
SCHEMBL11486868 0.76 XIAP (0.44) XIAPPTK2ADORA3ADORA1KDM4E
SCHEMBL10713361 0.75 KDM4E (0.46) XIAPADORA1KDM4ELMNAALDH1A1
SCHEMBL4408003 0.75 PTK2 (0.44) XIAPPTK2SCN9ASCN2ASCN3A
SCHEMBL9381323 0.73 XIAP (0.41) XIAPPTK2SCN9ASCN2ASCN3A
SCHEMBL27398574 0.73 PTK2 (0.51) PTK2SCN9ASCN2ASCN3ASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US disclosed
US-4229456-A SUPPRESSION OF GASTRIC SECRETIONS MERCK & CO., INC. (US) 1980-10-21 US disclosed
US-4202981-A Substituted -6,7,8,9-tetrahydro-pyrido- and 2H-pyrano [2,3-b][1,8]naphthyridines, stable efficient laser dyes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1980-05-13 US disclosed
EP-0000490-A1 Substituted naphthyridinones, processes for their preparations and therapeutical applications MERCK & CO. INC. (US) 1979-02-07 EP disclosed
US-4133885-A GASTRIC SECRETIONS INHIBITORS MERCK & CO., INC. (US) 1979-01-09 US disclosed
US-3966931-A TRANQUILIZERS, ANTICONVULSANTS, HYPNOSIS RHONE-POULENC S.A. (FR) 1976-06-29 US disclosed
US-3948917-A TRANQUILIZERS, ANTICONVULSANTS, DECONTRACTURANTS, HYPNOSIS RHONE-POULENC S.A. (FR) 1976-04-06 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 (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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 XIAP 3652/4885PTK2 4408/4885SCN9A 555/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 XIAP 3652/4885PTK2 4408/4885SCN9A 555/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 XIAP 3652/4885PTK2 4408/4885SCN9A 555/4885

“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.