SCHEMBL16657402

SCHEMBL16657402

COc1ccc(Nc2ccncc2N)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP2C19 P33261 1/20 0.44
DYRK1A Q13627 2/20 0.41
NUDT1 P36639 1/20 0.41
ABCB1 P08183 1/20 0.40
PTGS1 P23219 4/20 0.39
PTGS2 P35354 3/20 0.39
FERMT2 Q96AC1 1/20 0.39
RPS6KA3 P51812 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
HDAC1 Q13547 1/20 0.39
CCNT1 O60563 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL15698752 0.84 ADRA2A (0.51) EGFRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16657413 0.84 EGFR (0.51) EGFRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4943772 0.80 GAA (0.58) CYP1A2CYP2D6CYP2C9CYP2C19GAA
SCHEMBL16645368 0.79 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL16657374 0.78 ALDH1A1 (0.46) NUDT1GAAHTT
SCHEMBL16657400 0.78 HTT (0.67) GAAHTT
SCHEMBL14280707 0.78 GAA (0.59) EGFRDYRK1APTGS1PTGS2GAA
SCHEMBL3885458 0.76 MAP2K2 (0.49) NUDT1ABCB1
SCHEMBL5474208 0.76 KDM4E (0.43) EGFRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16657398 0.74 GSK3A (0.45) EGFRABCB1GSK3B

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
US-9845321-B2 1,3-dihydro-2H-benzimidazol-2-one derivatives substituted with heterocycles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2017-12-19 US disclosed
US-9845321-B2 1,3-dihydro-2H-benzimidazol-2-one derivatives substituted with heterocycles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2017-12-19 US disclosed
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-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-05-05 US disclosed
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-05-05 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

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-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ EGFR 2468/4885CYP1A2 1342/4885CYP3A4 102/4885
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ EGFR 2468/4885CYP1A2 1342/4885CYP3A4 102/4885

“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.