SCHEMBL6359749

SCHEMBL6359749

O=C(O)c1cn2cccc2cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
P4HTM Q9NXG6 8/20 0.40
P4HA1 P13674 1/20 0.40
MIF P14174 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
ALOX15 P16050 3/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM4 Q14833 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Hydrochloric Acid SCHEMBL5917885 0.98 PTGS1 (0.47) PTGS1PTGS2P4HTMP4HA1MIF
SCHEMBL17277749 0.84 ALDH1A1 (0.39) PTGS1PTGS2KDM4EALDH1A1ALOX15
SCHEMBL14669998 0.80 PTGS1 (0.34) PTGS1PTGS2MIFKDM4EALDH1A1
SCHEMBL12664144 0.80 GABRP (0.40) PTGS1PTGS2KDM4EALDH1A1ALOX15
SCHEMBL1872546 0.80 MAPK1 (0.46) PTGS1PTGS2KDM4EALDH1A1L3MBTL1
SCHEMBL5917827 0.77 KDM4E (0.56) KDM4EALDH1A1L3MBTL1LMNAHPGD
SCHEMBL1758975 0.71 CHRNA7 (0.49) PTGS1PTGS2P4HTMKDM4EALDH1A1
SCHEMBL6920526 0.71 ALOX15 (0.41) KDM4EALDH1A1L3MBTL1ALOX15HPGD
SCHEMBL25421914 0.70 RXFP1 (0.50) PTGS1PTGS2P4HTMP4HA1MIF
Hydrochloric Acid SCHEMBL5917945 0.70 CHRNA7 (0.48) PTGS1PTGS2P4HTMKDM4EALDH1A1

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-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed
CN-101305011-B Pyridine derivatives and their use in the treatment of psychotic disorders SMITHKLINE BEECHAM CORP 2011-03-02 CN disclosed
CN-101305011-A Pyridine derivatives and their use in the treatment of psychotic disorders SMITHKLINE BEECHAM CORP (US) 2008-11-12 CN disclosed
CN-1735441-A Combination for treating attention deficit hyperactivity disorder PHARMACIA & UPJOHN CO LLC (US) 2006-02-15 CN disclosed
CN-1726033-A Treatment of diseases with combinations of alpha 7 nicotinic acetylcholine receptor agonists and other compounds PHARMACIA & UPJOHN CO LLC (US) 2006-01-25 CN disclosed
WO-2005100334-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-27 WO disclosed
US-20050234065-A1 Dipeptidyl peptidase-IV inhibitors PFIZER INC 2005-10-20 US disclosed
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US disclosed
US-6858613-B2 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC. (US) 2005-02-22 US disclosed
EP-1476449-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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-20050234065-A1 Dipeptidyl peptidase-IV inhibitors ALPI, DPP4, SI PTGS1 345/4885PTGS2 1266/4885P4HTM 919/4885
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease NAT1, CYP11B1, COASY PTGS1 789/4885PTGS2 1891/4885P4HTM 1627/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 PTGS1 3152/4885PTGS2 3597/4885P4HTM 1945/4885

“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.