SCHEMBL4933440

SCHEMBL4933440

N#C/C=C/c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.59
CYP11B1 P15538 1/20 0.59
MAPT P10636 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 2/20 0.52
JUN P05412 1/20 0.52
NFKB1 P19838 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
MEN1 O00255 2/20 0.50
VCP P55072 1/20 0.49
ALOX5 P09917 2/20 0.46
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45

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
SCHEMBL1898942 1.00 CYP11B2 (0.59) CYP11B2CYP11B1MAPTKMT2AMAPK1
SCHEMBL29691639 0.80 CYP11B1 (0.86) CYP11B2CYP11B1MAPTKMT2AMAPK1
SCHEMBL29691623 0.80 CYP11B1 (0.86) CYP11B2CYP11B1MAPTKMT2AMAPK1
SCHEMBL2327877 0.80 CYP11B1 (0.59) CYP11B2CYP11B1MAPTKMT2AMAPK1
SCHEMBL2327875 0.80 CYP11B1 (0.59) CYP11B2CYP11B1MAPTKMT2AMAPK1
SCHEMBL2384026 0.79
SCHEMBL29691532 0.78 CYP11B1 (0.82) CYP11B2CYP11B1MAPTKMT2AMAPK1
SCHEMBL29691548 0.78 CYP11B1 (0.82) CYP11B2CYP11B1MAPTKMT2AMAPK1
SCHEMBL29691514 0.78 CYP11B1 (0.82) CYP11B2CYP11B1MAPTKMT2AMAPK1
SCHEMBL29691464 0.78 CYP11B1 (0.82) CYP11B2CYP11B1MAPTKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080091014-A1 Synthetic Method and Intermediates of Rosuvastatin Calcium and Preparation Methods of Intermediates ANHUI QUINGYUN PHARMACEUTICAL AND CHEMICAL CO., LTD. (CN) 2008-04-17 US claimed
US-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives MEDCURIUS INC. (CN) 2023-09-14 US disclosed
US-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives MEDCURIUS INC. (CN) 2023-09-14 US disclosed
WO-2021259143-A1 PHARMACEUTICAL USE OF (E)-3-ARYLHETEROCYCLYL PROP-2-ENOIC ACID DERIVATIVES 上海长车生物科技有限公司 2021-12-30 WO disclosed
CN-102481285-A Use of derivatives of indole for the treatment of cancer CENTRE NAT RECH SCIENT 2012-05-30 CN disclosed
US-20080091014-A1 Synthetic Method and Intermediates of Rosuvastatin Calcium and Preparation Methods of Intermediates ANHUI QUINGYUN PHARMACEUTICAL AND CHEMICAL CO., LTD. (CN) 2008-04-17 US disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
EP-1115697-B1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS GENE KUTATO KFT N (HU) 2004-02-04 EP disclosed
US-6500823-B1 ENERGY DEFICIENCY OF THE CELL CAUSED BY PARP INHIBITION, IN DIABETES COMPLICATIONS, IN OXYGEN DEFICIENT STATUS OF THE HEART AND BRAIN, IN NEURODEGENERATIVE DISEASES, IN THE TREATMENT OF AUTOIMMUNE AND/OR VIRAL DISEASES N-GENE RESEARCH LABORATORIES, INC. 2002-12-31 US disclosed
WO-2000014054-A1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS N-Gene Kutató Kft. (HU) 2000-03-16 WO disclosed
EP-0500653-A4 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST INC (US) 1995-08-23 EP disclosed
US-5286721-A Antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-15 US disclosed
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed
EP-0506982-A1 1-AZABICYCLO 3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP disclosed
EP-0500653-A1 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST PHARMACEUTICALS INC. (US) 1992-09-02 EP disclosed
WO-1992006978-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-30 WO disclosed
WO-1991006548-A1 INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE BIOCRYST, INC. (US) 1991-05-16 WO disclosed
US-5008270-A 2-amino-7-(heterocyclomethyl)-3H,5H-pyrrolo[3,2-d]pyrimidin-4-ones and pharmaceutical uses and compositions containing the same BIOCRYST, INC. (US) 1991-04-16 US disclosed
US-4985433-A 2-amino-7-(pyridinylmethyl)-3H,5H-pyrrolo[3,2-d]pyrimidin-4-ones and pharmaceutical uses and compositions containing the same BIOCRYST, INC. (US) 1991-01-15 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 (2 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-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives NFE2L2, NFE2, TXNRD2 CYP11B2 366/4885CYP11B1 305/4885MAPT 3234/4885
US-20080091014-A1 Synthetic Method and Intermediates of Rosuvastatin Calcium and Preparation Methods of Intermediates KCNN4, HCN4, CACNB4 CYP11B2 674/4885CYP11B1 779/4885MAPT 1243/4885

“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.