SCHEMBL8530077

SCHEMBL8530077

N#Cc1cc(F)c2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.50
▸ IMPDH1 P20839 1/20 0.50
▸ XDH P47989 1/20 0.45
▸ SLC22A12 Q96S37 1/20 0.45
▸ RIPK1 Q13546 2/20 0.41
▸ IKBKB O14920 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ TNF P01375 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.38
▸ ATIC P31939 1/20 0.36
▸ SLC6A2 P23975 9/20 0.36
▸ SLC6A4 P31645 9/20 0.36
▸ SLC6A3 Q01959 9/20 0.36
▸ CYP2D6 P10635 8/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ AHR P35869 2/20 0.33
▸ ESR1 P03372 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
SCHEMBL3707241 0.78 IMPDH2 (0.50) IMPDH2IMPDH1XDHSLC22A12RIPK1
SCHEMBL16636645 0.78 IMPDH2 (0.50) IMPDH2IMPDH1XDHSLC22A12RIPK1
SCHEMBL988243 0.78 IMPDH2 (0.50) IMPDH2IMPDH1XDHSLC22A12RIPK1
SCHEMBL2537652 0.76 AHR (0.50) RIPK1TNFGPR84SLC6A2SLC6A4
SCHEMBL29337991 0.75 IKBKB (0.44) IMPDH2IMPDH1IKBKBCHUKSLC6A2
SCHEMBL28597933 0.73 XDH (0.50) IMPDH2IMPDH1XDHSLC22A12RIPK1
SCHEMBL12585067 0.73 XDH (0.64) IMPDH2IMPDH1XDHSLC22A12IKBKB
SCHEMBL794596 0.72 TNF (0.44) RIPK1IKBKBCHUKTNFGPR84
SCHEMBL31357932 0.72 AHR (0.47) IMPDH2IMPDH1XDHSLC22A12RIPK1
SCHEMBL1420429 0.72 AHR (0.47) IMPDH2IMPDH1XDHSLC22A12RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 — — US disclosed
US-11117887-B2 Aryl substituted pyrimidines for use in influenza virus infection Janssen Sciences Ireland Unlimited Company (IE) 2021-09-14 — — US disclosed
EP-3405466-B1 ARYL SUBSTITUTED PYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-11-18 — — 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-20200231577-A1 ARYL SUBSTITUTED PYRIMIDINES FOR USE INFLUENZA VIRUS INFECTION Janssen Sciences Ireland Unlimited Company (IE) 2020-07-23 — — US disclosed
US-10611755-B2 Aryl substituted pyrimidines for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2020-04-07 — — US disclosed
US-10597390-B2 Indoles for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2020-03-24 — — US disclosed
US-20190047989-A1 ARYL SUBSTITUTED PYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION Janssen Sciences Ireland Unlimited Company (IE) 2019-02-14 — — US disclosed
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-08-10 — — US disclosed
WO-2017125506-A1 ARYL SUBSTITUTED PYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2017-07-27 — — WO disclosed
WO-2016020526-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2016-02-11 — — WO disclosed
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 — — US disclosed
EP-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 — — EP disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 — — US disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 — — 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 (8 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-10611755-B2 Aryl substituted pyrimidines for use in influenza virus infection HPRT1, TYMP, PNP IMPDH2 13/4885IMPDH1 5/4885XDH 16/4885
US-11117887-B2 Aryl substituted pyrimidines for use in influenza virus infection HPRT1, TYMP, PNP IMPDH2 13/4885IMPDH1 5/4885XDH 16/4885
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 IMPDH2 1775/4885IMPDH1 1757/4885XDH 684/4885
US-20190047989-A1 ARYL SUBSTITUTED PYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION HPRT1, TYMP, PNP IMPDH2 13/4885IMPDH1 5/4885XDH 16/4885
US-10597390-B2 Indoles for use in influenza virus infection IDO1, IDO2, INMT IMPDH2 28/4885IMPDH1 17/4885XDH 175/4885
US-20200231577-A1 ARYL SUBSTITUTED PYRIMIDINES FOR USE INFLUENZA VIRUS INFECTION HPRT1, TYMP, UMPS IMPDH2 26/4885IMPDH1 7/4885XDH 21/4885
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION IDO1, IDO2, INMT IMPDH2 28/4885IMPDH1 17/4885XDH 175/4885
US-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 IMPDH2 3334/4885IMPDH1 3332/4885XDH 1697/4885

“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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