SCHEMBL83157

SCHEMBL83157

Cc1ccc(Nc2ccccc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.56
KDR P35968 1/20 0.55
HPGD P15428 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.53
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
PDE10A Q9Y233 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDGFRB P09619 2/20 0.49
PDGFRA P16234 2/20 0.49
ALPG P10696 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC2A1 P11166 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
SCHEMBL11563207 0.88 HAO1 (0.53) KDRHPGDMEN1KMT2AMAPT
SCHEMBL21281906 0.83 RAB9A (0.64) KDRMEN1KMT2AMAPTRAB9A
SCHEMBL21666863 0.83 RAB9A (0.59) KDRHPGDMEN1KMT2AMAPT
SCHEMBL1108659 0.82 ADRA2A (0.49) KDRMEN1KMT2AMAPTRAB9A
SCHEMBL24308132 0.81 RAB9A (0.62) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL2485845 0.81 RAB9A (0.50) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL11562966 0.81 GRM5 (0.51) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL3957229 0.79 ALDH1A1 (0.56) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL15779673 0.78 SLC2A1 (0.56) KDRMEN1KMT2AMAPTLMNA
SCHEMBL19909265 0.78 HCAR3 (0.54) HCAR3HPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111235599-B Method for synthesizing tetraarylhydrazine compounds based on electrochemistry 齐鲁工业大学 2022-03-22 CN disclosed
US-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST MEDSHINE DISCOVERY INC. (CN) 2021-03-25 US disclosed
EP-3750879-A1 PROSTACYCLIN RECEPTOR AGONIST Medshine Discovery Inc. (CN) 2020-12-16 EP disclosed
CN-111235599-A Method for synthesizing tetraarylhydrazine compounds based on electrochemistry 齐鲁工业大学 2020-06-05 CN disclosed
EP-3617294-A1 LIQUID CRYSTAL ALIGNMENT AGENT COMPOSITION, METHOD FOR PREPARING LIQUID CRYSTAL ALIGNMENT FILM USING SAME, AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME LG CHEM, LTD. (KR) 2020-03-04 EP disclosed
EP-3575381-A1 LIQUID CRYSTAL ALIGNING AGENT COMPOSITION, METHOD FOR MANUFACTURING LIQUID CRYSTAL ALIGNING FILM USING SAME, LIQUID CRYSTAL ALIGNING FILM USING SAME, AND LIQUID CRYSTAL DISPLAY DEVICE LG CHEM, LTD. (KR) 2019-12-04 EP disclosed
WO-2019154363-A1 PROSTACYCLIN RECEPTOR AGONIST 南京明德新药研发有限公司 2019-08-15 WO disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
CN-107922387-A HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER 阿沙纳生物科学公司 2018-04-17 CN disclosed
US-9882143-B2 Amine-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-30 US disclosed
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ALLERGAN SALES, LLC 2008-08-21 US disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 US disclosed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 US disclosed
EP-0091790-B1 PROCESS FOR PREPARING 2-ALKYLAMINO- AND 2-AMINO-5-ALKYLPYRIDINES REILLY INDUSTRIES, INC. (US) 1989-11-15 EP disclosed
EP-0091790-A2 Process for preparing 2-alkylamino- and 2-amino-5-alkylpyridines REILLY INDUSTRIES, INC. (US) 1983-10-19 EP disclosed
US-4405790-A FROM 3-ALKYLPYRIDINE; SODIUM ALKYLAMIDE REILLY TAR & CHEMICAL CORP. (US) 1983-09-20 US disclosed
EP-0000816-A1 Substituted amino-pyridine derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1979-02-21 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 (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-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST PTGIR, TBXA2R, PTGFR HCAR3 229/4885KDR 913/4885HPGD 119/4885
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 HCAR3 82/4885KDR 1481/4885HPGD 1221/4885
US-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 HCAR3 4192/4885KDR 4442/4885HPGD 612/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HCAR3 2223/4885KDR 2983/4885HPGD 185/4885

“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.