SCHEMBL9977913

SCHEMBL9977913

CC(C)CCn1c(CO)nc2nc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
CNR2 P34972 11/20 0.38
BCHE P06276 4/20 0.34
ACHE P22303 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 2/20 0.34
OPRM1 P35372 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL15908547 0.87 TSHR (0.43) MAPK1TSHRCNR2BCHEACHE
Hydrochloric Acid SCHEMBL18275315 0.86 TSHR (0.42) MAPK1TSHRCNR2BCHEACHE
SCHEMBL15293766 0.84 MAPK1 (0.43) MAPK1TSHRCNR2BCHEACHE
SCHEMBL9978053 0.80 MAPK1 (0.39) MAPK1TSHRCNR2BCHEACHE
SCHEMBL9977957 0.79 MAPK1 (0.49) MAPK1TSHRCNR2POLBLMNA
SCHEMBL16657416 0.78 SMN1; SMN2 (0.39) MAPK1POLBLMNARAB9ASMN1; SMN2
SCHEMBL9978109 0.76 SMN1; SMN2 (0.37) MAPK1CNR2POLBLMNACNR1
SCHEMBL7740380 0.72 MAPK1 (0.76) MAPK1TSHRPOLBLMNARAB9A
SCHEMBL15908562 0.72 TSHR (0.36) MAPK1TSHRCNR2BCHEMEN1
SCHEMBL15908559 0.72 CNR2 (0.36) MAPK1TSHRCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190023692-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2019-01-24 US disclosed
US-20190023692-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2019-01-24 US disclosed
US-10081618-B2 Quinoxalinones and dihydroquinoxalinones as respiratory syncytial virus ativiral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-09-25 US disclosed
US-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 US disclosed
US-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 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
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-20170260166-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ATIVIRAL AGENTS JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-14 US disclosed
US-20170260166-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ATIVIRAL AGENTS JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-14 US disclosed
US-20170260166-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ATIVIRAL AGENTS JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-14 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-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2015-03-12 US disclosed
US-8927720-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2015-01-06 US disclosed
US-8927720-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2015-01-06 US disclosed
WO-2014114776-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2014-07-31 WO disclosed
CN-103347881-A Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R & D IRELAND 2013-10-09 CN disclosed
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R & D IRELAND (IE) 2013-10-03 US disclosed
WO-2012080449-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2012-06-21 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 (6 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-20190023692-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS SQOR, SDHA, DHX15 MAPK1 2139/4885TSHR 4855/4885CNR2 4705/4885
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L MAPK1 2680/4885TSHR 4359/4885CNR2 4876/4885
US-20170260166-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ATIVIRAL AGENTS ATIC, DHX15, SQOR MAPK1 2314/4885TSHR 4847/4885CNR2 4692/4885
US-10081618-B2 Quinoxalinones and dihydroquinoxalinones as respiratory syncytial virus ativiral agents ATIC, DHX15, SQOR MAPK1 2314/4885TSHR 4847/4885CNR2 4692/4885
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L MAPK1 2680/4885TSHR 4359/4885CNR2 4876/4885
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ MAPK1 3468/4885TSHR 2916/4885CNR2 2250/4885

“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.