SCHEMBL1961423

SCHEMBL1961423

Brc1ccc(CN2C=Cc3[nH]c(-c4ccncc4)nc3C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.38
MAPK14 Q16539 3/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
ALOX5 P09917 1/20 0.34
AURKA O14965 2/20 0.33
CXCR2 P25025 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 2/20 0.32
PRKCI P41743 1/20 0.32
LSS P48449 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
WNT3A P56704 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
SCHEMBL1962577 0.89 MAPK13 (0.39) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL1961668 0.88 AURKA (0.35) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL1958858 0.87 GAA (0.34) KDM4ELMNAWNT3ATNKS2ALDH1A1
SCHEMBL1959224 0.87 CLPP (0.31) CLPP
SCHEMBL2343162 0.87 KDM4E (0.36) AURKACYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL2348028 0.86 CXCR2 (0.39) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL1959852 0.84 HRH1 (0.38) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL1959940 0.82 ACHE (0.35) GCGRMAPK14MAPK13MAPK12MAPK11
SCHEMBL1958997 0.82 PTGES (0.39) CXCR2KDM4EALDH1A1HPGD
SCHEMBL1959009 0.81 PTGES (0.39) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD

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 7 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

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 GCGR 3127/4885MAPK14 1909/4885MAPK13 1570/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE GCGR 2566/4885MAPK14 1747/4885MAPK13 2244/4885

“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.