SCHEMBL654862

SCHEMBL654862

COC(=O)c1cc2ccc(N)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.55
XDH P47989 3/20 0.49
ALOX15 P16050 3/20 0.48
GAA P10253 3/20 0.46
FLT3 P36888 3/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 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
SCHEMBL17092514 1.00 HRH4 (0.55) HRH4XDHALOX15GAAFLT3
Hydrochloric Acid SCHEMBL23045607 0.98 HRH4 (0.53) HRH4XDHALOX15GAAFLT3
Hydrochloric Acid SCHEMBL31383573 0.98 HRH4 (0.53) HRH4XDHALOX15GAAFLT3
SCHEMBL617200 0.87 XDH (0.59) HRH4XDHGAAFLT3PDGFRB
SCHEMBL16402111 0.84 MMP13 (0.42) HRH4XDHALOX15GAAFLT3
SCHEMBL8959155 0.83 ALOX15 (0.70) HRH4ALOX15GAAKDM4ELMNA
SCHEMBL28808283 0.83 HRH4 (0.51) HRH4ALOX15GAAFLT3PDGFRB
SCHEMBL2815266 0.82 FLT3 (0.56) HRH4XDHALOX15FLT3PDGFRB
SCHEMBL29919471 0.82 FLT3 (0.59) XDHALOX15GAAFLT3PDGFRB
SCHEMBL6421763 0.82 KIF11 (0.53) XDHALOX15FLT3PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000821-A1 INDOLE CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KUKJE PHARMA CO., LTD. (KR) 2023-01-05 US disclosed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
WO-2003048123-A1 SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 WO disclosed
US-6548530-B1 Antitumor drugs incorporate the 1,2,9,9a-tetrahydrocyclopropa(c)benz(e)indol-4-one (CBI) alkylation subunit; cytotoxic activity THE SCRIPPS RESEARCH INSTITUTE 2003-04-15 US disclosed
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP disclosed
WO-2002000650-A9 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECH INC (US) 2003-03-06 WO disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 WO disclosed
EP-0862553-A4 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS SCRIPPS RESEARCH INST (US) 1999-02-03 EP disclosed
EP-0862553-A1 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS The Scripps Research Institute (US) 1998-09-09 EP disclosed
WO-1997012862-A1 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-04-10 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 (12 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-20230000821-A1 INDOLE CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME PTGES, PTGES2, PTGS1 HRH4 1453/4885XDH 1543/4885ALOX15 46/4885
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HRH4 4636/4885XDH 785/4885ALOX15 1998/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A HRH4 7/4885XDH 1408/4885ALOX15 584/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A HRH4 7/4885XDH 1408/4885ALOX15 584/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A HRH4 7/4885XDH 1408/4885ALOX15 584/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A HRH4 7/4885XDH 1408/4885ALOX15 584/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A HRH4 7/4885XDH 1408/4885ALOX15 584/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A HRH4 7/4885XDH 1408/4885ALOX15 584/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A HRH4 7/4885XDH 1408/4885ALOX15 584/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A HRH4 7/4885XDH 1408/4885ALOX15 584/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A HRH4 3873/4885XDH 2720/4885ALOX15 2241/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HRH4 4636/4885XDH 785/4885ALOX15 1998/4885

“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.