SCHEMBL14280707

SCHEMBL14280707

COc1ccc(Nc2ccncc2N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.59
MAPT P10636 6/20 0.59
HTT P42858 4/20 0.59
RAB9A P51151 4/20 0.59
ALDH1A1 P00352 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
KDM4E B2RXH2 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
PTGS1 P23219 2/20 0.59
PTGS2 P35354 2/20 0.59
THRB P10828 2/20 0.59
RECQL P46063 2/20 0.59
MMP14 P50281 1/20 0.59
NR4A1 P22736 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 2/20 0.50
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTK6 Q13882 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
SCHEMBL16657383 0.83 BRAF (0.51) GAAMAPTHTTRAB9AALDH1A1
SCHEMBL16657411 0.81 GAA (0.58) GAAMAPTRAB9ATDP1KDM4E
SCHEMBL9333781 0.81 GAA (0.51) GAAMAPTHTTALDH1A1KDM4E
SCHEMBL14003573 0.81 RAD52 (0.52) GAAMAPTHTTRAB9AALDH1A1
SCHEMBL16657385 0.80 TDO2 (0.56) RAB9APTGS1PTGS2L3MBTL1NPC1
SCHEMBL16657368 0.80 EGFR (0.55) GAAMAPTEGFR
SCHEMBL16657413 0.79 EGFR (0.51) GAAMAPTRAB9AALDH1A1KDM4E
SCHEMBL15698752 0.79 ADRA2A (0.51) GAAHTTPTGS1PTGS2EGFR
SCHEMBL16089616 0.78 RAB9A (0.56) MAPTHTTRAB9AALDH1A1TDP1
SCHEMBL9390146 0.78 PTGS1 (0.51) GAAMAPTHTTRAB9AALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864323-B1 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2017-04-19 EP disclosed
US-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (US) 2015-06-18 US disclosed
US-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (US) 2015-06-18 US disclosed
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSEN R&D IRELAND (US) 2015-04-23 US disclosed
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSEN R&D IRELAND (US) 2015-04-23 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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 (3 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 GAA 3367/4885MAPT 4574/4885HTT 4035/4885
US-20150166533-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH BENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, SARS1 GAA 1760/4885MAPT 4854/4885HTT 3107/4885
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ GAA 2216/4885MAPT 4858/4885HTT 2075/4885

“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.