SCHEMBL5539002

SCHEMBL5539002

CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCN(C)CC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 3/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
GRIN2B Q13224 3/20 0.37

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
SCHEMBL5541017 0.94 TSHR (0.47) HSD17B10SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL5538880 0.93 TSHR (0.47) HSD17B10SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL5546783 0.91 GRIN2B (0.46) HSD17B10SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL5545582 0.86 KDM4E (0.41) SMN1; SMN2TSHRKDM4EMAPTPKM
SCHEMBL5545287 0.85 KDM4E (0.52) HSD17B10SMN1; SMN2KDM4EMAPTPKM
SCHEMBL4584171 0.85 GRIN2B (0.41) SMN1; SMN2KDM4EMAPTPKMALDH1A1
SCHEMBL5540667 0.84 L3MBTL1 (0.38) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL16009719 0.84 KDM4E (0.44) SMN1; SMN2TSHRKDM4EMAPTPKM
SCHEMBL5545282 0.84 KDM4E (0.55) SMN1; SMN2KDM4EMAPTPKMALDH1A1
SCHEMBL5541088 0.83 KDM4E (0.47) SMN1; SMN2KDM4EMAPTPKMALDH1A1

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-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
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
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP 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
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US 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 HSD17B10 2218/4885SMN1; SMN2 4504/4885TSHR 4052/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 HSD17B10 1401/4885SMN1; SMN2 4786/4885TSHR 4622/4885

“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.