SCHEMBL143751

SCHEMBL143751

O=C(c1ccc2cc[nH]c2c1)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.65
ALDH1A1 P00352 2/20 0.65
HSD17B10 Q99714 2/20 0.65
MAPT P10636 1/20 0.65
MAPK14 Q16539 1/20 0.60
PKM P14618 1/20 0.56
HPGD P15428 6/20 0.55
KDM4E B2RXH2 1/20 0.55
ENPP2 Q13822 1/20 0.55
PLK4 O00444 1/20 0.55
JAK2 O60674 1/20 0.55
MAP4K4 O95819 1/20 0.55
ROS1 P08922 1/20 0.55
FGFR1 P11362 1/20 0.55
FLT1 P17948 1/20 0.55
MARK3 P27448 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
FLT3 P36888 1/20 0.55
CLK2 P49760 1/20 0.55

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
SCHEMBL31428636 1.00 GHSR (0.65) GHSRALDH1A1HSD17B10MAPTMAPK14
SCHEMBL31428795 0.90 MAPK14 (0.60) GHSRALDH1A1HSD17B10MAPTMAPK14
SCHEMBL22216392 0.90 MAPK14 (0.60) GHSRALDH1A1HSD17B10MAPTMAPK14
SCHEMBL29944074 0.85 GHSR (0.71) GHSRALDH1A1HSD17B10MAPTMAPK14
SCHEMBL1355458 0.85 GHSR (0.71) GHSRALDH1A1HSD17B10MAPTMAPK14
SCHEMBL29990457 0.84 GHSR (0.67) GHSRALDH1A1HSD17B10MAPTMAPK14
SCHEMBL3235960 0.84 GHSR (0.67) GHSRALDH1A1HSD17B10MAPTMAPK14
SCHEMBL17443852 0.84 GHSR (0.75) GHSRALDH1A1HSD17B10MAPTMAPK14
SCHEMBL2207578 0.82 GHSR (0.65) GHSRALDH1A1HSD17B10MAPTMAPK14
SCHEMBL16002856 0.82 GHSR (0.69) GHSRALDH1A1HSD17B10MAPK14HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106660996-B 2, 5-substituted pyrimidines as PDE4 inhibitors 格吕伦塔尔有限公司 2020-10-16 CN disclosed
US-10391099-B2 Method of treating psoriatic arthritis, psoriasis, and chronic obstructive pulmonary disease with a novel 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2019-08-27 US disclosed
EP-3415510-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE4 INHIBITORS Grünenthal GmbH (DE) 2018-12-19 EP disclosed
EP-3415509-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE INHIBITORS Grünenthal GmbH (DE) 2018-12-19 EP disclosed
EP-3169679-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE4 INHIBITORS Grünenthal GmbH (DE) 2017-05-24 EP disclosed
EP-3169680-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE INHIBITORS Grünenthal GmbH (DE) 2017-05-24 EP disclosed
US-20170065603-A1 Novel 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2017-03-09 US disclosed
US-9546158-B2 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2017-01-17 US disclosed
US-9315490-B2 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2016-04-19 US disclosed
US-20160024053-A1 Novel 2,5-Substituted Pyrimidines GRUENENTHAL GMBH (DE) 2016-01-28 US disclosed
WO-2011159857-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 WO disclosed
WO-2011159857-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 WO disclosed
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2011-04-07 US disclosed
US-7812043-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2010-10-12 US disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2007-02-01 US disclosed
EP-1689392-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
WO-2005049019-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2005-06-02 WO disclosed
EP-1532980-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2005-05-25 EP 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 (5 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-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes GALK1, GCKR, GCK GHSR 748/4885ALDH1A1 2638/4885HSD17B10 1492/4885
US-20170065603-A1 Novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 GHSR 4464/4885ALDH1A1 337/4885HSD17B10 1237/4885
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES GCKR, GCK, GALK1 GHSR 821/4885ALDH1A1 1240/4885HSD17B10 1000/4885
US-20160024053-A1 Novel 2,5-Substituted Pyrimidines PDE4B, PDE4A, PDE12 GHSR 4464/4885ALDH1A1 337/4885HSD17B10 1237/4885
US-10391099-B2 Method of treating psoriatic arthritis, psoriasis, and chronic obstructive pulmonary disease with a novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 GHSR 4702/4885ALDH1A1 334/4885HSD17B10 1893/4885

“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.