SCHEMBL1959832

SCHEMBL1959832

Fc1cccc(-c2nc3c([nH]2)C=CN(Cc2ccc(Br)cc2)C3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.35
MGAM O43451 3/20 0.35
GAA P10253 3/20 0.35
SI P14410 3/20 0.35
MGAM2 Q2M2H8 3/20 0.35
PIN1 Q13526 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
AMY1A P0DUB6 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRA2 P47869 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TYMP P19971 1/20 0.32
CHRM5 P08912 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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 0.90 HRH1 (0.38) GAALMNAMAPTTYMPHDAC1
SCHEMBL1958997 0.88 PTGES (0.39) ACP1MGAMGAASIMGAM2
SCHEMBL1959009 0.88 PTGES (0.39) ACP1GAAPIN1MAPTTYMP
SCHEMBL2344753 0.88 CHRNB4 (0.31) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL1961366 0.87 CXCR2 (0.41) PIN1TYMP
SCHEMBL1962577 0.87 MAPK13 (0.39) GAALMNAMAPTCYP11B1CYP11B2
SCHEMBL2347186 0.85 AURKA (0.39)
SCHEMBL1961667 0.85 PIN1 (0.40) PIN1
SCHEMBL1959224 0.85 CLPP (0.31)
SCHEMBL1960208 0.84 GCGR (0.36) GAALMNAMAPTTYMPMAPK14

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 12 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
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 ACP1 4313/4885MGAM 3637/4885GAA 864/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE ACP1 4434/4885MGAM 2122/4885GAA 79/4885

“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.