SCHEMBL2114667

SCHEMBL2114667

Nc1ncc(I)nc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 14/20 0.38
TDP1 Q9NUW8 2/20 0.37
PRKDC P78527 5/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34

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
Dimethylformamide SCHEMBL27784235 0.87 ATR (0.32) ATRTDP1PRKDCALDH1A1
SCHEMBL12466450 0.84 PDPK1 (0.39) ATRPRKDCALDH1A1SMN1; SMN2ATM
SCHEMBL3374259 0.83 CDK5 (0.43) ATRTDP1PRKDCALDH1A1MAPT
Lithium Ion SCHEMBL19743866 0.81 ATR (0.33) ATRPRKDC
SCHEMBL29804434 0.79 NPSR1 (0.47) ATRPRKDCALDH1A1SMN1; SMN2
SCHEMBL3003587 0.79 NPSR1 (0.47) ATRPRKDCALDH1A1SMN1; SMN2
Calcium SCHEMBL30481734 0.79 ALDH1A1 (0.40) TDP1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL29054943 0.79 ALDH1A1 (0.40) TDP1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL10256130 0.79 PLAU (0.46) ATRTDP1PRKDCGABRPGABRD
SCHEMBL2112207 0.78 ATR (0.40) ATRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113234029-B Synthesis method of 2-amino-3, 5-dihalogen pyrazine 白银康寓信生物科技有限公司 2022-03-22 CN disclosed
CN-113234029-A Synthesis method of 2-amino-3, 5-dihalogen pyrazine 白银康寓信生物科技有限公司 2021-08-10 CN disclosed
US-10759785-B2 Compounds Enterprise Therapeutics Limited (GB) 2020-09-01 US disclosed
EP-3472154-B1 COMPOUNDS ENTERPRISE THERAPEUTICS LTD (GB) 2020-08-12 EP disclosed
US-20190233402-A1 COMPOUNDS Enterprise Therapeutics Limited (GB) 2019-08-01 US disclosed
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
EP-1778687-A2 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
US-20060035898-A1 Fused ring heterocycle kinase modulators STRUCTURAL GENOMIX, INC. (US) 2006-02-16 US disclosed
WO-2006015124-A2 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
EP-1623216-A2 COMPOUND LIBRARIES AND METHODS FOR DRUG DISCOVERY SGX Pharmaceuticals, Inc. (US) 2006-02-08 EP disclosed
US-20040265909-A1 Compound libraries and methods for drug discovery SGX PHARMACEUTICALS, INC. 2004-12-30 US disclosed
WO-2004092727-A2 COMPOUND LIBRARIES AND METHODS FOR DRUG DISCOVERY STRUCTURAL GENOMIX, INC. (US) 2004-10-28 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 (4 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-20060035898-A1 Fused ring heterocycle kinase modulators MAP3K20, TTK, MAP3K19 ATR 713/4885TDP1 1841/4885PRKDC 124/4885
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 ATR 713/4885TDP1 1841/4885PRKDC 124/4885
US-20190233402-A1 COMPOUNDS CFTR, NHERF1, SCNN1A ATR 3410/4885TDP1 4432/4885PRKDC 4869/4885
US-10759785-B2 Compounds CFTR, NHERF1, SCNN1A ATR 3410/4885TDP1 4432/4885PRKDC 4869/4885

“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.