SCHEMBL9938916

SCHEMBL9938916

Fc1cc(C(F)(F)F)c(Cl)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ CYP11B2 P19099 4/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ XPO1 O14980 5/20 0.38
▸ PIK3CD O00329 1/20 0.36
▸ MPL P40238 4/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ KCNQ1 P51787 1/20 0.33
▸ TRPA1 O75762 2/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ NOTUM Q6P988 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
SCHEMBL29448446 1.00 KEAP1 (0.44) KEAP1NFE2L2CYP11B2CYP11B1XPO1
SCHEMBL10853416 0.85 PIK3CD (0.40) CYP11B2CYP11B1XPO1PIK3CDMPL
SCHEMBL7906403 0.82 KEAP1 (0.44) KEAP1NFE2L2CYP11B2CYP11B1
SCHEMBL9967096 0.81 PIK3CD (0.37) CYP11B2CYP11B1XPO1PIK3CDADRB2
SCHEMBL27268060 0.81 CYP11B1 (0.35) CYP11B2CYP11B1XPO1PIK3CDMPL
SCHEMBL9967097 0.81 KHK (0.50) CYP11B2CYP11B1XPO1PIK3CDMPL
SCHEMBL29687228 0.79 PIK3CD (0.37) CYP11B2CYP11B1XPO1PIK3CDADRB2
SCHEMBL675996 0.79 PIK3CD (0.37) CYP11B2CYP11B1XPO1PIK3CDADRB2
SCHEMBL29260193 0.77 KEAP1 (0.56) KEAP1NFE2L2
SCHEMBL21670482 0.76 NOTUM (0.35) CYP11B2CYP11B1XPO1PIK3CDADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106661036-B Pyrrolopyrimidines for use in influenza virus infection 爱尔兰詹森科学公司 2022-03-15 — — CN disclosed
EP-3191489-B1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-01-06 — — EP disclosed
EP-3191489-B1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-01-06 — — EP disclosed
CN-106573920-B Indoles for use in influenza virus infection 爱尔兰詹森科学公司 2020-11-10 — — CN disclosed
US-10597390-B2 Indoles for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2020-03-24 — — US disclosed
US-10597390-B2 Indoles for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2020-03-24 — — US disclosed
US-9932346-B2 Pyrrolopyrimidines for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2018-04-03 — — US disclosed
US-9932346-B2 Pyrrolopyrimidines for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2018-04-03 — — US disclosed
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-07 — — US disclosed
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-07 — — US disclosed
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-08-10 — — US disclosed
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-08-10 — — US disclosed
EP-3191489-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION Janssen Sciences Ireland UC (IE) 2017-07-19 — — EP disclosed
EP-3177609-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION Janssen Sciences Ireland UC (IE) 2017-06-14 — — EP disclosed
WO-2016037953-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2016-03-17 — — WO disclosed
WO-2016020526-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2016-02-11 — — WO disclosed
WO-2016020526-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2016-02-11 — — WO disclosed
US-20130345218-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2013-12-26 — — US disclosed
EP-2651938-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2013-10-23 — — EP disclosed
WO-2012083122-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICAL INCORPORATED (US) 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 (4 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-10597390-B2 Indoles for use in influenza virus infection IDO1, IDO2, INMT KEAP1 1948/4885NFE2L2 1440/4885CYP11B2 103/4885
US-20130345218-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 KEAP1 3646/4885NFE2L2 3430/4885CYP11B2 1870/4885
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION IDO1, IDO2, INMT KEAP1 1948/4885NFE2L2 1440/4885CYP11B2 103/4885
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION IMPDH1, IMPDH2, TYMP KEAP1 2951/4885NFE2L2 2084/4885CYP11B2 350/4885

“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.

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