SCHEMBL747786

SCHEMBL747786

COc1ccc2cccnc2c1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.59
SLC40A1 Q9NP59 2/20 0.53
RAB9A P51151 4/20 0.50
NPC1 O15118 2/20 0.50
PDE10A Q9Y233 1/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MMP2 P08253 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MMP8 P22894 1/20 0.47

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
SCHEMBL10338146 0.82 ERN1 (0.48) ERN1SLC40A1RAB9ANPC1TSHR
SCHEMBL21831541 0.79 SLC40A1 (0.46) ERN1SLC40A1RAB9ANPC1PDE10A
SCHEMBL21831543 0.79 SLC40A1 (0.46) ERN1SLC40A1RAB9ANPC1PDE10A
SCHEMBL20669627 0.78 ERN1 (0.65) ERN1SLC40A1LMNAKDM4ESMN1; SMN2
SCHEMBL3374427 0.77 ERN1 (0.59) ERN1RAB9ANPC1LMNAKDM4E
SCHEMBL16582721 0.77 ERN1 (0.51) ERN1SLC40A1RAB9ANPC1LMNA
SCHEMBL3268177 0.76 NPC1 (0.40) ERN1SLC40A1RAB9ANPC1KDM4E
SCHEMBL29708058 0.76 MAPT (0.68) ERN1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL1002660 0.76 MAPT (0.68) ERN1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL8856068 0.76 LMNA (0.59) SLC40A1RAB9ANPC1PDE10ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446298-B2 Pyrimidine derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-20 US disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US disclosed
EP-3625223-A1 PYRIMIDINE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
CN-110621667-A Pyrimidine derivatives 爱杜西亚药品有限公司 2019-12-27 CN disclosed
CN-106661031-B Pyrrolopyrimidine compounds or its salt, pharmaceutical composition and application containing it 大鹏药品工业株式会社 2019-07-23 CN disclosed
US-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND TAIHO PHARMACETUICAL CO., LTD. (JP) 2019-01-10 US disclosed
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-01-08 US disclosed
WO-2018210992-A1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO disclosed
EP-3395345-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND Taiho Pharmaceutical Co., Ltd. (JP) 2018-10-31 EP disclosed
EP-2429523-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP disclosed
EP-2430004-A2 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
WO-2010131192-A2 NOVEL OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
US-4812471-A Hypoglycemic 5-(isoxazolyl or isothiazolyl)-oxazolidine-2,4-diones PFIZER INC. (US) 1989-03-14 US disclosed
US-4753956-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1988-06-28 US disclosed
US-4689336-A Hypoglycemic 5-substituted oxazolidine 2,4-diones PFIZER INC. (US) 1987-08-25 US disclosed
US-4565820-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1986-01-21 US disclosed
US-4431810-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1984-02-14 US disclosed
US-4342771-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1982-08-03 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 (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-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND MCL1, TP53, DPYD ERN1 3883/4885SLC40A1 361/4885RAB9A 1978/4885
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 ERN1 2696/4885SLC40A1 1127/4885RAB9A 911/4885
US-11446298-B2 Pyrimidine derivatives PTGER1, PTGER4, PTGER2 ERN1 647/4885SLC40A1 2121/4885RAB9A 4282/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 ERN1 647/4885SLC40A1 2121/4885RAB9A 4282/4885

“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.