SCHEMBL10057752

SCHEMBL10057752

CNc1ccccc1C=N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
RECQL P46063 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
EGFR P00533 1/20 0.35
PABPC1 P11940 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR6 P50406 1/20 0.35
TSHR P16473 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL2495661 0.80 POLB (0.46) POLBMAPTALDH1A1KDM4ETDP1
SCHEMBL874034 0.76 TDP1 (0.55) POLBMAPTALDH1A1KDM4ETDP1
SCHEMBL17734081 0.76 ALDH1A1 (0.39) POLBMAPTALDH1A1KDM4ETDP1
SCHEMBL1770005 0.76 ALDH1A1 (0.44) POLBMAPTALDH1A1KDM4ETDP1
SCHEMBL12098689 0.76 MEN1 (0.31) TDP1MEN1KMT2ALMNATHRB
SCHEMBL19707177 0.76 IDO1 (0.40) POLBMAPTALDH1A1KDM4ETDP1
SCHEMBL6880406 0.76 TDP1 (0.41) MAPTALDH1A1KDM4ETDP1RECQL
SCHEMBL26665650 0.76 IDO1 (0.40) MAPTNPSR1ATMIDO1
SCHEMBL16424666 0.74 KDM4E (0.41) POLBMAPTALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL1934706 0.74 ALDH1A1 (0.43) POLBMAPTALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 US disclosed
EP-3752495-B1 PYRIDINE DERIVATIVES AND THEIR USE FOR TREATING HIV INFECTION GILEAD SCIENCES INC (US) 2023-07-19 EP disclosed
EP-3892616-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2021-10-13 EP disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 WO disclosed
US-20200231563-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2020-07-23 US disclosed
EP-3081213-B1 TRICYCLIC COMPOUND KYOWA KIRIN CO LTD (JP) 2020-04-01 EP disclosed
EP-2970139-B1 HDAC INHIBITORS BIOMARIN PHARM INC (US) 2018-05-30 EP disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
EP-2582691-B1 ANTHRANILIC ACID DERIVATIVES BAYER IP GMBH (DE) 2017-05-10 EP disclosed
US-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090054418-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008128942-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008003690-A1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LIMITED (GB) 2008-01-10 WO disclosed
WO-2007118130-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-18 WO 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-20200231563-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 GRM7, GRM1, GRM3 POLB 4548/4885MAPT 1190/4885ALDH1A1 3446/4885
US-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials NQO2, PPOX, ASNS POLB 199/4885MAPT 2716/4885ALDH1A1 4077/4885
US-20090054418-A1 Antibacterial Agents MRPL21, ELANE, SPOUT1 POLB 512/4885MAPT 4763/4885ALDH1A1 1958/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 POLB 255/4885MAPT 4878/4885ALDH1A1 3071/4885

“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.