SCHEMBL5545708

SCHEMBL5545708

Cn1ccnc1Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 8/20 0.38
KDM4E B2RXH2 3/20 0.38
CNR1 P21554 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NAMPT P43490 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL5546944 0.95 KDM4E (0.41) L3MBTL1CNR2KDM4ECNR1MEN1
SCHEMBL5538544 0.95 KDM4E (0.39) L3MBTL1CNR2KDM4ECNR1MEN1
SCHEMBL5545924 0.92 L3MBTL1 (0.38) L3MBTL1CNR2CNR1MEN1KMT2A
SCHEMBL5545823 0.91 CNR2 (0.39) L3MBTL1CNR2CNR1MEN1KMT2A
SCHEMBL5545566 0.91 NAMPT (0.36) L3MBTL1CNR2KDM4ECNR1MEN1
SCHEMBL5539033 0.86 L3MBTL1 (0.43) L3MBTL1CNR2KDM4ECNR1MEN1
SCHEMBL5539175 0.86 CNR2 (0.42) L3MBTL1CNR2KDM4ECNR1MEN1
SCHEMBL5546779 0.86 L3MBTL1 (0.53) L3MBTL1KDM4EMEN1KMT2AGPR52
SCHEMBL5538465 0.85 L3MBTL1 (0.42) L3MBTL1CNR2KDM4ECNR1MEN1
SCHEMBL5545559 0.85 L3MBTL1 (0.41) L3MBTL1CNR2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 L3MBTL1 1411/4885CNR2 3954/4885KDM4E 1268/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885CNR2 4810/4885KDM4E 1255/4885

“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.