SCHEMBL4885799

SCHEMBL4885799

Cc1ccn2cc(C=O)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
TP53 P04637 1/20 0.53
KDM4E B2RXH2 11/20 0.51
ALDH1A1 P00352 7/20 0.51
POLB P06746 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 11/20 0.49
RAB9A P51151 11/20 0.49
PKM P14618 3/20 0.47
GAA P10253 3/20 0.46
HPGD P15428 2/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 4/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL20540263 0.79 KDM4E (0.39) SMN1; SMN2TP53KDM4EALDH1A1POLB
SCHEMBL31035787 0.79 BACE1 (0.38) SMN1; SMN2TP53KDM4EALDH1A1POLB
SCHEMBL12780463 0.79 AKR1B1 (0.37) SMN1; SMN2TP53KDM4EALDH1A1POLB
SCHEMBL871995 0.77 NPC1 (0.50) SMN1; SMN2TP53KDM4EALDH1A1POLB
SCHEMBL434154 0.76 SMN1; SMN2 (0.61) SMN1; SMN2TP53KDM4EALDH1A1POLB
SCHEMBL4889270 0.76 PARP1 (0.39) SMN1; SMN2KDM4EALDH1A1POLBTDP1
Hydrochloric Acid SCHEMBL6544490 0.74 SMN1; SMN2 (0.59) SMN1; SMN2TP53KDM4EALDH1A1POLB
SCHEMBL8811617 0.73 SMN1; SMN2 (0.57) SMN1; SMN2TP53KDM4EALDH1A1POLB
SCHEMBL18569907 0.73 SMN1; SMN2 (0.57) SMN1; SMN2TP53KDM4EALDH1A1POLB
SCHEMBL871327 0.73 PTGS1 (0.51) SMN1; SMN2KDM4EALDH1A1POLBNPC1

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-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 US disclosed
US-20220106321-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-04-07 US disclosed
US-11279704-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-03-22 US disclosed
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 EP disclosed
US-10550123-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-02-04 US disclosed
US-20190337954-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2019-11-07 US disclosed
EP-2760831-B1 VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2019-08-07 EP disclosed
EP-2760831-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2014-08-06 EP disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 US disclosed
WO-2013045516-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-04-04 WO disclosed
US-20080171740-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 US disclosed
EP-1793825-A2 CHEMCIAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-06-13 EP disclosed
WO-2006036816-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-06 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 (7 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-20080171740-A1 Chemical Compounds CXCR4, CCR5, CXCR3 SMN1; SMN2 4677/4885TP53 2032/4885KDM4E 4010/4885
US-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 SMN1; SMN2 2456/4885TP53 1706/4885KDM4E 1372/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 SMN1; SMN2 2456/4885TP53 1706/4885KDM4E 1372/4885
US-20190337954-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 SMN1; SMN2 2456/4885TP53 1706/4885KDM4E 1372/4885
US-10550123-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 SMN1; SMN2 2456/4885TP53 1706/4885KDM4E 1372/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 SMN1; SMN2 2456/4885TP53 1706/4885KDM4E 1372/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 SMN1; SMN2 2456/4885TP53 1706/4885KDM4E 1372/4885

“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.