SCHEMBL3575758

SCHEMBL3575758

Cc1cnc(N)c(C(=O)O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.53
PRKCI P41743 1/20 0.39
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
ATR Q13535 6/20 0.38
PRKDC P78527 2/20 0.38

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
SCHEMBL13242155 0.87 GRM5 (0.42) GRM5PRKCIGABRPGABRDGABRA1
SCHEMBL14525247 0.84 GRM5 (0.53) GRM5PRKCIATRPRKDCKDM4E
SCHEMBL1674128 0.84 GRM5 (0.42) GRM5PRKCIGABRPGABRDGABRA1
SCHEMBL30206297 0.84 GRM5 (0.42) GRM5PRKCIGABRPGABRDGABRA1
SCHEMBL18502145 0.84 GRM5 (0.53) GRM5PRKCIATRPRKDCALDH1A1
SCHEMBL12343678 0.83 GRM5 (0.55) GRM5ATRPRKDCKDM4ENPC1
SCHEMBL6100470 0.81 ALDH1A1 (0.41) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL29432473 0.81 ALDH1A1 (0.41) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL262307 0.81 GRM5 (0.54) GRM5PRKCIATRKDM4EALDH1A1
Lithium Ion SCHEMBL19743870 0.81 GRM5 (0.50) GRM5PRKCIGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 EP 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
EP-3354650-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2018-08-01 EP disclosed
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-06-26 US disclosed
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2018-06-21 US disclosed
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-16 US disclosed
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-10-27 US disclosed
EP-0217748-B1 2-Substituted-e-fused-[1,2,4,]triazolo-[1,5-c]pyrimidines pharmaceutical compositions and uses thereof CIBA-GEIGY AG (CH) 1991-02-06 EP disclosed
US-4831013-A BENZODIAZEPINE RECEPTOR ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1989-05-16 US disclosed
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
WO-1988002370-A1 2-SUBSTITUTED-E-FUSED-[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINES PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CIBA-GEIGY AG (CH) 1988-04-07 WO disclosed
EP-0263071-A1 2-Substituted-e-fused-[1,2,4]-triazolo[1,5-c] pyrimidines, pharmaceutical compositions, and uses thereof CIBA-GEIGY AG (CH) 1988-04-06 EP disclosed
EP-0217748-A2 2-Substituted-e-fused-[1,2,4,]triazolo-[1,5-c]pyrimidines pharmaceutical compositions and uses thereof CIBA-GEIGY AG (CH) 1987-04-08 EP disclosed
US-RE30563-E Preparation of benzoylureas ELI LILLY AND COMPANY (US) 1981-03-31 US disclosed
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US disclosed
US-4133956-A Preparation of benzoylureas ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4083977-A Novel insecticidal 1-(substituted benzoyl)-3-(substituted pyrazinyl)ureas ELI LILLY AND COMPANY (US) 1978-04-11 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 (6 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-20190233402-A1 COMPOUNDS CFTR, NHERF1, SCNN1A GRM5 1713/4885PRKCI 2738/4885GABRP 2977/4885
US-10759785-B2 Compounds CFTR, NHERF1, SCNN1A GRM5 1713/4885PRKCI 2738/4885GABRP 2977/4885
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B GRM5 1029/4885PRKCI 53/4885GABRP 546/4885
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 GRM5 2413/4885PRKCI 40/4885GABRP 3661/4885
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 GRM5 2413/4885PRKCI 40/4885GABRP 3661/4885
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP5K1B, PIP4K2B GRM5 1029/4885PRKCI 53/4885GABRP 546/4885

“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.