SCHEMBL11922306

SCHEMBL11922306

Nc1nc(Br)cnc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.46
PLAU P00749 5/20 0.41
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
AKR1B1 P15121 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35

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 SCHEMBL27886458 0.87 ATR (0.38) ATRPLAUGRM5ALDH1A1KDM4E
SCHEMBL14471555 0.83 PDPK1 (0.45) ATRPLAUGRM5ALDH1A1KDM4E
SCHEMBL28150098 0.83 ATR (0.42) ATRPLAUGRM5ALDH1A1KDM4E
SCHEMBL410727 0.83 ATR (0.58) ATRGRM5ALDH1A1KDM4EGABRP
SCHEMBL30522209 0.81 PLAU (0.59) PLAUALDH1A1KDM4EAKR1B1PTGS1
SCHEMBL17501714 0.81 AKR1B1 (0.49) PLAUALDH1A1KDM4EAKR1B1PTGS1
SCHEMBL507389 0.81 PLAU (0.59) PLAUALDH1A1KDM4EAKR1B1PTGS1
SCHEMBL1674128 0.78 GRM5 (0.42) PLAUGRM5ALDH1A1KDM4EAKR1B1
SCHEMBL21195742 0.78 KMT2A (0.40) ATRGRM5ALDH1A1KDM4EGABRP
SCHEMBL3632923 0.78 MEN1 (0.43) PLAUGRM5ALDH1A1AKR1B1PTGS1

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
CN-106866553-A A kind of synthetic method of Favipiravir 中南大学 2017-06-20 CN claimed
CN-104496917-B A kind of synthetic method of Favipiravir 南京华威医药科技开发有限公司 2017-06-20 CN claimed
EP-3466929-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2023-09-06 EP disclosed
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-07-24 US disclosed
CN-107226794-A A kind of synthetic method of Favipiravir 郑州大学 2017-10-03 CN disclosed
CN-104496917-B A kind of synthetic method of Favipiravir 南京华威医药科技开发有限公司 2017-06-20 CN disclosed
CN-106866553-A A kind of synthetic method of Favipiravir 中南大学 2017-06-20 CN disclosed
US-9546165-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-9546165-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-11-17 US disclosed
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-11-17 US disclosed
EP-2485731-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2016-05-11 EP disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 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 (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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 ATR 1624/4885PLAU 4002/4885GRM5 3566/4885
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors PDK1, PDK2, PDK3 ATR 1624/4885PLAU 4002/4885GRM5 3566/4885
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 ATR 1624/4885PLAU 4002/4885GRM5 3566/4885

“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.