SCHEMBL1959602

SCHEMBL1959602

C1=CN(CCc2ccccc2)Cc2nc(Cc3ccccc3)[nH]c21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
GAA P10253 3/20 0.38
HTR6 P50406 2/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 2/20 0.34
TSHR P16473 1/20 0.34
RNASEH1 O60930 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 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
SCHEMBL6432296 0.82 PRCP (0.36) KDM4ETDP1
SCHEMBL1961887 0.81 CLPP (0.39) HTR2CGAAHTR6KMT2ACYP1A2
SCHEMBL1961662 0.78 ADORA2B (0.34) KDM4ETDP1
SCHEMBL1958694 0.75 SIGMAR1 (0.37)
SCHEMBL1959748 0.73 CLPP (0.37) GAAKDM4E
SCHEMBL1962393 0.73 CLPP (0.37) GAAKDM4E
SCHEMBL1958225 0.69 HRH1 (0.37) GAAKMT2ATSHRMAPT
SCHEMBL1411950 0.68 CXCR2 (0.40) GAACYP1A2CYP2D6TSHRKDM4E
SCHEMBL1959740 0.67 ACHE (0.41)
SCHEMBL28047091 0.66 ALDH1A1 (0.34) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332938-B1 Viral inhibitors LEUVEN K U RES & DEV (BE) 2014-10-01 EP disclosed
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 HTR2C 3162/4885GAA 864/4885HTR6 2927/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE HTR2C 4594/4885GAA 79/4885HTR6 3905/4885

“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.