SCHEMBL450853

SCHEMBL450853

Cc1nc(N)c(C(=O)O)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.41
LMNA P02545 1/20 0.39
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
IKBKB O14920 2/20 0.32

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
SCHEMBL3800959 0.83 GABRP (0.41) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL3409494 0.81 CCNA2 (0.41) LMNAKDM4EKMT2A
SCHEMBL14891402 0.81 PLAU (0.58) PLAULMNATDP1PDPK1KDM4E
SCHEMBL17628560 0.81 PLAU (0.44) PLAUTDP1PDPK1CFTRKDM4E
SCHEMBL30206694 0.81 NPSR1 (0.48) PLAULMNAKDM4EKMT2AL3MBTL1
SCHEMBL6617911 0.81 NPSR1 (0.48) PLAULMNAKDM4EKMT2AL3MBTL1
SCHEMBL23420310 0.79 CFTR (0.48) PLAULMNACFTR
SCHEMBL18404968 0.78 ALDH1A1 (0.49) LMNAKDM4EKMT2A
SCHEMBL13144988 0.77 GABRP (0.39) PLAULMNAGABRPGABRDGABRA1
SCHEMBL25285259 0.76 RXFP1 (0.31) RXFP1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US claimed
EP-1957478-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2008-08-20 EP claimed
WO-2007061360-A2 NOVEL 3-BICYCLOCARBONYLAMINOPYRIDINE-2-CARBOXAMIDES OR 3-BICYCLOCARBONYLAMINOPYRAZINE-2-CARBOXAMIDES ASTRAZENECA AB (SE) 2007-05-31 WO claimed
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 EP disclosed
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-11-14 US disclosed
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 EP disclosed
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 WO disclosed
WO-2021240295-A1 PROCESS FOR PREPARATION OF FAVIPIRAVIR GLENMARK LIFE SCIENCES LIMITED (IN) 2021-12-02 WO disclosed
EP-2755652-B1 N-SUBSTITUTED HETEROCYCLYL CARBOXAMIDES NOVARTIS AG (CH) 2021-06-02 EP disclosed
WO-2020250116-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS NOVARTIS AG (CH) 2020-12-17 WO disclosed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
WO-2011133687-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF BETA2-ADRENERGIC RECEPTOR DEGRADATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-10-27 WO disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides ASTRAZENECA AB (SE) 2009-07-16 US disclosed
EP-1957478-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2008-08-20 EP disclosed
WO-2007061360-A2 NOVEL 3-BICYCLOCARBONYLAMINOPYRIDINE-2-CARBOXAMIDES OR 3-BICYCLOCARBONYLAMINOPYRAZINE-2-CARBOXAMIDES ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 PLAU 3450/4885LMNA 3773/4885GABRP 540/4885
US-20090181968-A1 Novel 3-Bicyclocarbonylaminopyridine-2-Carboxamides or 3-Bicyclocarbonylaminopyrazine-2-Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNA2, CNR2 PLAU 4061/4885LMNA 1222/4885GABRP 1447/4885
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PDXK, PGK1, PGK2 PLAU 2018/4885LMNA 4094/4885GABRP 4078/4885

“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.