SCHEMBL368250

SCHEMBL368250

c1cncc(-c2ncco2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.58
ALDH1A1 P00352 7/20 0.54
CYP2A6 P11509 5/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HSD17B10 Q99714 5/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA5 P30532 1/20 0.50
CHRNA4 P43681 1/20 0.50
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LTA4H P09960 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 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
SCHEMBL301469 0.79 HPGDS (0.71) HPGDSALDH1A1HSD17B10NPC1RAB9A
SCHEMBL28753616 0.77 HPGDS (0.69) HPGDSALDH1A1HSD17B10NPC1RAB9A
SCHEMBL3964365 0.77 HPGDS (0.58) HPGDSLTA4H
SCHEMBL13737200 0.77 HPGDS (0.53) HPGDSCYP2A6LTA4H
SCHEMBL722557 0.75 LTA4H (0.64) HPGDSLTA4H
SCHEMBL5571760 0.75 LTA4H (0.70) HPGDSALDH1A1HSD17B10NPC1RAB9A
SCHEMBL14181278 0.74 HPGDS (0.51) HPGDSNPC1RAB9ALTA4HPKM
SCHEMBL3222694 0.74 LTA4H (0.53) HPGDSALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL12571342 0.73 HPGDS (0.50) HPGDSLTA4H
SCHEMBL16159319 0.73 HPGDS (0.55) HPGDSLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515948-A PHD inhibitor compounds, compositions and uses 阿克比治疗有限公司 2022-12-23 CN disclosed
WO-2020252151-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2020-12-17 WO disclosed
EP-3319955-B1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 EP disclosed
US-10385050-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2019-08-20 US disclosed
EP-3145923-B1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-C]PYRIDIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-01-30 EP disclosed
US-20190016719-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-01-17 US disclosed
US-10112938-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2018-10-30 US disclosed
US-9963452-B2 Methods, compounds, and compositions for inhibition of ROS AUGUSTA PHARMACEUTICALS INC. (US) 2018-05-08 US disclosed
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2018-02-22 US disclosed
CN-107108534-A Probes for Imaging Huntingtin CHDI基金会股份有限公司 2017-08-29 CN disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
US-20040209924-A1 Substituted 3-pyridyl imidazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-10-21 US disclosed
US-20040198773-A1 Substituted 3-pyridyl oxazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-10-07 US disclosed
US-20040198773-A1 Substituted 3-pyridyl oxazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-10-07 US disclosed
US-20040198773-A1 Substituted 3-pyridyl oxazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-10-07 US disclosed
WO-2003027107-A1 SUBSTITUTED 3-PYRIDYL OXAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
WO-2003027107-A1 SUBSTITUTED 3-PYRIDYL OXAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
WO-2003027096-A1 SUBSTITUTED 3-PYRIDYL IMIDAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
US-5053416-A Alzheimer's disease; central cholinomimetic activity ROUSSEL UCLAF (FR) 1991-10-01 US disclosed
EP-0376848-A1 Thiazolyl or oxazolyl substituted 1,2,5,6-tetrahydropyridine derivatives, process and intermediates for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1990-07-04 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 (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-10385050-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives TPH1, TPH2, HTR1A HPGDS 1472/4885ALDH1A1 437/4885CYP2A6 625/4885
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD HPGDS 1097/4885ALDH1A1 1643/4885CYP2A6 594/4885
US-20190016719-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES TPH1, TPH2, HTR1A HPGDS 1472/4885ALDH1A1 437/4885CYP2A6 625/4885
US-10112938-B2 Indolin-2-one and 1,3-dihydro-pyrrolo[3,2-c]pyridin-2-one derivatives TPH1, TPH2, HTR1A HPGDS 1472/4885ALDH1A1 437/4885CYP2A6 625/4885
US-20040198773-A1 Substituted 3-pyridyl oxazoles as c17,20 lyase inhibitors CYP17A1, HSD17B12, DCLRE1B HPGDS 1321/4885ALDH1A1 366/4885CYP2A6 3063/4885
US-20040209924-A1 Substituted 3-pyridyl imidazoles as c17,20 lyase inhibitors CDC20, IDH1, ALDH18A1 HPGDS 799/4885ALDH1A1 138/4885CYP2A6 1498/4885

“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.