SCHEMBL9978053

SCHEMBL9978053

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
CNR2 P34972 12/20 0.38
TRPV1 Q8NER1 1/20 0.33
BCHE P06276 3/20 0.33
ACHE P22303 1/20 0.33
CNR1 P21554 2/20 0.32
PIK3C2A O00443 1/20 0.32
OPRM1 P35372 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL15293766 0.81 MAPK1 (0.43) MAPK1TSHRCNR2BCHEACHE
SCHEMBL9977913 0.80 MAPK1 (0.42) MAPK1TSHRCNR2BCHEACHE
SCHEMBL27939156 0.80 MAPT (0.35) MAPK1TSHRCNR2TRPV1POLB
SCHEMBL9977957 0.76 MAPK1 (0.49) MAPK1TSHRCNR2LMNAPOLB
SCHEMBL7745731 0.71 TSHR (0.50) MAPK1TSHRCNR2BCHEACHE
SCHEMBL9977941 0.71 CYP3A4 (0.49) OPRM1
SCHEMBL7740380 0.70 MAPK1 (0.76) MAPK1TSHRLMNAPOLB
SCHEMBL6247270 0.68 MAPK1 (0.50) MAPK1TSHRCNR2BCHEACHE
SCHEMBL9977948 0.68 TSHR (0.43) MAPK1TSHRCNR2BCHEACHE
SCHEMBL15908547 0.68 TSHR (0.43) MAPK1TSHRCNR2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 US disclosed
US-20160237096-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-9321767-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
EP-2651933-B1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-16 EP 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
CN-103347881-A Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R & D IRELAND 2013-10-09 CN 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 (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-20160237096-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS AZI2, ZC3HAV1, ZC3HAV1L MAPK1 2430/4885TSHR 4377/4885CNR2 4869/4885
US-20150073012-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, AZI2, ZC3HAV1L MAPK1 2680/4885TSHR 4359/4885CNR2 4876/4885

“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.