Sugi Predict

Sugi Predict / Compounds / SCHEMBL5545368

SCHEMBL5545368

SCHEMBL5545368

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC(F)(F)F)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CNR2 P34972 7/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EGLN1 Q9GZT9 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ F2 P00734 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ULK1 O75385 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ EGLN3 Q9H6Z9 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
SCHEMBL5545873 0.90 L3MBTL1 (0.43) L3MBTL1CNR2MEN1KMT2ACES2
SCHEMBL5545653 0.90 GRIN2B (0.40) L3MBTL1CNR2MEN1KMT2APOLB
SCHEMBL5545426 0.90 L3MBTL1 (0.42) L3MBTL1CNR2MEN1KMT2ACES2
SCHEMBL5546671 0.89 L3MBTL1 (0.42) L3MBTL1CNR2MEN1KMT2APOLB
SCHEMBL5538546 0.88 CNR2 (0.42) L3MBTL1CNR2MEN1KMT2APOLB
SCHEMBL5547220 0.87 GRIN2B (0.44) L3MBTL1CNR2MEN1KMT2APOLB
SCHEMBL5539138 0.86 MAPT (0.46) L3MBTL1CNR2MEN1KMT2ACES2
SCHEMBL5545482 0.86 GRIN2B (0.42) L3MBTL1CNR2MEN1KMT2AF2
SCHEMBL5547445 0.86 L3MBTL1 (0.44) L3MBTL1CNR2MEN1KMT2AEGLN1
SCHEMBL5540817 0.86 L3MBTL1 (0.39) L3MBTL1CNR2MEN1KMT2AALDH1A1

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
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 — — US claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 — — EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 — — US claimed
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

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 3954/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885CNR2 4810/4885MEN1 4837/4885

“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.