SCHEMBL2963211

SCHEMBL2963211

N#CCCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.55
HRH3 Q9Y5N1 2/20 0.50
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 1/20 0.46
NAAA Q02083 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LIN28A Q9H9Z2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C19 P33261 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL11653759 0.88 ATM (0.56) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL11466386 0.86 HRH1 (0.58) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL4396684 0.82 CYP1A2 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL14376651 0.79 KDM4E (0.55) HRH1HRH3ALDH1A1CYP1A2CYP2D6
SCHEMBL230753 0.79 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL29485678 0.79 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL4819213 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL38655688 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL349370 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL27295191 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933339-A PHYTOPATHOGENS ROHM AND HAAS COMPANY (US) 1990-06-12 US claimed
CN-115232089-B Vinyl phenol thiazine fluorescent probe and preparation method and application thereof 洛阳师范学院 2024-11-15 CN disclosed
CN-115193436-B Nickel-cobalt metal framework catalyst, preparation method and application thereof 山东明化新材料有限公司 2024-01-26 CN disclosed
CN-115193436-A Nickel-cobalt metal framework catalyst, preparation method and application thereof 山东明化新材料有限公司 2022-10-18 CN disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
CN-1038682-C Cyclic amide compounds, process for their production and their use as herbicides ISHIHARA SANGYO KAISHA (JP) 1998-06-10 CN disclosed
US-5650511-A MULTISTAGE REACTION OF ALDEHYDE OR KETONE WITH NITRILE GROUP TO FORM ENAMINE, REACTION OF ENAMINE WITH BASE TO FORM PYRROLE, THEN REACTION BIOCRYST PHARMACEUTICALS, INC. (US) 1997-07-22 US 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
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
US-4923993-A Process for the preparation of 2-pyridinecarboxylic acid derivatives and 1-amino-1,4-dihydropyridine-2-carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1990-05-08 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-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 HRH1 3064/4885HRH3 2972/4885ALDH1A1 3714/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 HRH1 3064/4885HRH3 2972/4885ALDH1A1 3714/4885

“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.