SCHEMBL7093993

SCHEMBL7093993

CC(=O)Nc1ccc(C(C)=O)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.62
CYP1A2 P05177 1/20 0.56
GAA P10253 1/20 0.56
HCAR3 P49019 4/20 0.50
ADORA3 P0DMS8 2/20 0.49
NNMT P40261 1/20 0.49
KMT2A Q03164 1/20 0.48
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
NSD2 O96028 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL82675 0.87 HCAR3 (0.68) PTK2CYP1A2GAAHCAR3KMT2A
SCHEMBL8590143 0.87 HCAR3 (0.53) PTK2HCAR3NNMTRAB9AMAPT
SCHEMBL25190504 0.85 PTK2 (0.59) PTK2CYP1A2GAAHCAR3NNMT
SCHEMBL3465475 0.85 NNMT (0.69) PTK2CYP1A2GAAHCAR3NNMT
SCHEMBL19736133 0.84 PTK2 (0.57) PTK2CYP1A2GAAHCAR3NNMT
SCHEMBL1854705 0.84 MAPK1 (0.59) PTK2CYP1A2GAAHCAR3NNMT
SCHEMBL30320779 0.84 DEGS1 (0.47) PTK2CYP1A2HCAR3NNMTRAB9A
SCHEMBL12588541 0.82 HCAR3 (0.72) HCAR3NNMTKMT2AMAPT
SCHEMBL16463469 0.82 PTK2 (0.56) PTK2CYP1A2GAAHCAR3RAB9A
SCHEMBL6923544 0.82 PTK2 (0.56) PTK2CYP1A2GAAHCAR3NNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842924-B1 Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists PFIZER (US) 2003-08-20 EP claimed
EP-0842924-A1 Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists PFIZER INC. (US) 1998-05-20 EP claimed
WO-2023215367-A1 BICYCLIC PIPERAZINONES AND THERAPEUTIC USES THEREOF CYTOKINETICS, INC. (US) 2023-11-09 WO disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
US-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2017-02-16 US disclosed
US-9512116-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-12-06 US disclosed
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-09-03 US disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
EP-0842924-B1 Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists PFIZER (US) 2003-08-20 EP disclosed
US-6031105-A Substituted pyridines PFIZER INC (US) 2000-02-29 US disclosed
US-6008361-A Substituted pyridines PFIZER INC. (US) 1999-12-28 US disclosed
EP-0842924-A1 Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists PFIZER INC. (US) 1998-05-20 EP 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PTK2 3497/4885CYP1A2 1461/4885GAA 530/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR PTK2 1754/4885CYP1A2 4132/4885GAA 4863/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 PTK2 3497/4885CYP1A2 1461/4885GAA 530/4885
US-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PTK2 1528/4885CYP1A2 4570/4885GAA 994/4885
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 PTK2 1528/4885CYP1A2 4570/4885GAA 994/4885

“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.