SCHEMBL1961366

SCHEMBL1961366

FC(F)(F)c1cccc(-c2nc3c([nH]2)C=CN(Cc2ccc(Br)cc2)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
STAT6 P42226 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1959852 0.88 HRH1 (0.38) MEN1NPC1ALDH1A1HPGDTSHR
SCHEMBL1958997 0.86 PTGES (0.39) CXCR2KDM4EALDH1A1HPGDHTT
SCHEMBL1959009 0.85 PTGES (0.39) KDM4ENPC1ALDH1A1PKMHPGD
SCHEMBL2344753 0.85 CHRNB4 (0.31)
SCHEMBL1958150 0.85 CXCR2 (0.43) CXCR2KDM4EALDH1A1PIN1CNR2
SCHEMBL1959705 0.83 CXCR2 (0.43) CXCR2NPSR1SCN2APARP1
SCHEMBL2347186 0.82 AURKA (0.39) SMN1; SMN2GRIN1GRIN2B
SCHEMBL1959224 0.82 CLPP (0.31)
SCHEMBL1959940 0.82 ACHE (0.35) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL2343162 0.80 KDM4E (0.36) KDM4ENPC1ALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US claimed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP claimed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US claimed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US claimed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP claimed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO claimed
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 CXCR2 1642/4885KDM4E 519/4885MEN1 3767/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CXCR2 1546/4885KDM4E 782/4885MEN1 2547/4885

“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.