SCHEMBL2600746

SCHEMBL2600746

Cc1c(C)c(C)c2sc(C(C)C)nc2c1C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL10093847 0.81 TLR8 (0.38) TLR8TLR7
SCHEMBL10093824 0.81 TLR8 (0.38) TLR8TLR7
SCHEMBL10093833 0.77 KDM4E (0.33) TLR8TLR7
SCHEMBL10093834 0.72 TLR8 (0.32) TLR8TLR7
SCHEMBL10220116 0.72 TLR8 (0.45) TLR8TLR7
SCHEMBL77254 0.70 HSD17B10 (0.39) TLR8TLR7
SCHEMBL24466816 0.70 TLR8 (0.39) TLR8TLR7
SCHEMBL9307195 0.68
SCHEMBL9148321 0.67
SCHEMBL14226108 0.67 TLR8 (0.33) TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901295-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-12-02 US disclosed
US-8802666-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-08-12 US disclosed
US-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 US disclosed
US-20140030191-A1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-01-30 US disclosed
US-8541434-B2 Ethynyl-substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8470834-B2 AZO-substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20130109693-A1 DERIVATIVES OF PYRIDO [3,2-D] PYRIMIDINE, METHODS FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2013-05-02 US disclosed
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-01-17 US disclosed
US-20120107271-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2012-04-19 US disclosed
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-12-29 US disclosed
US-20110286964-A1 AZO-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-11-24 US disclosed
US-20110286965-A1 ETHENYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-11-24 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 (9 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-20120107271-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS CYP2C9, P2RX3, F12 TLR8 184/4885TLR7 33/4885
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO TLR8 177/4885TLR7 35/4885
US-20140030191-A1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF CYP3A43, NAT1, UGT1A1 TLR8 4738/4885TLR7 4109/4885
US-20110286965-A1 ETHENYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS CYP2C9, PNP, UGT1A3 TLR8 292/4885TLR7 57/4885
US-20130109693-A1 DERIVATIVES OF PYRIDO [3,2-D] PYRIMIDINE, METHODS FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, CYP2D6, TYMS TLR8 4173/4885TLR7 897/4885
US-20110286964-A1 AZO-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS XDH, CYP2C9, CYP2C8 TLR8 288/4885TLR7 279/4885
US-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 TLR8 3831/4885TLR7 2499/4885
US-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF HRH2, HRH1, SULT2A1 TLR8 3352/4885TLR7 1215/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 TLR8 3831/4885TLR7 2499/4885

“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.