SCHEMBL5076877

SCHEMBL5076877

O=c1ccc2ccc(F)nc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
SNCA P37840 1/20 0.36
F11 P03951 1/20 0.34
MAPK1 P28482 1/20 0.34
HCAR1 Q9BXC0 5/20 0.32
KIF11 P52732 1/20 0.31

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
SCHEMBL28647686 0.76 PDE3B (0.45) CA12CA9PDE3BPDE3AADORA2A
SCHEMBL3729985 0.74 ADORA1 (0.44) CA12CA9PDE3BPDE3AADORA2A
SCHEMBL587003 0.74 KMT2A (0.45) CA12CA9PDE3BPDE3AADORA2A
SCHEMBL4136622 0.74 PDE3B (0.47) CA12CA9PDE3BPDE3AADORA2A
SCHEMBL30549011 0.74 HPGD (0.40) CA12CA9PDE3BPDE3ACA1
SCHEMBL30039796 0.74 HPGD (0.40) CA12CA9PDE3BPDE3ACA1
SCHEMBL28837183 0.71 ADORA2A (0.39) CA12CA9ADORA2AADORA1SNCA
SCHEMBL19233139 0.71 CA12 (0.41) CA12CA9PDE3BPDE3ACA1
SCHEMBL29547698 0.71 CA12 (0.41) CA12CA9PDE3BPDE3ACA1
SCHEMBL4136907 0.71 CCR1 (0.48) CA12CA9PDE3BPDE3ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991992-B1 QUINOLONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-07-25 EP disclosed
US-9540399-B2 Quinolone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-10 US disclosed
EP-2991992-A1 QUINOLONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-03-09 EP disclosed
US-20160060276-A1 QUINOLONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-03 US disclosed
WO-2014178008-A1 QUINOLONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-11-06 WO disclosed
WO-2008084324-A1 NAPHTHYRIDINONE COMPOUND PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
WO-2008084324-A1 NAPHTHYRIDINONE COMPOUND PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 US disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 US disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20160060276-A1 QUINOLONE DERIVATIVES NQO2, QARS1, RECQL CA12 4847/4885CA9 4402/4885PDE3B 792/4885
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 CA12 4774/4885CA9 4298/4885PDE3B 1360/4885
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE BDNF, SCN7A, GRIN2C CA12 3891/4885CA9 4244/4885PDE3B 1165/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 CA12 4774/4885CA9 4298/4885PDE3B 1360/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 CA12 4774/4885CA9 4298/4885PDE3B 1360/4885

“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.