SCHEMBL4196571

SCHEMBL4196571

CNC(=O)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)C(C)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
BRD4 O60885 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
PRKAA2 P54646 1/20 0.34
P2RX7 Q99572 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
HTT P42858 1/20 0.34
CXCR3 P49682 1/20 0.33
GAA P10253 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL4218947 0.85 MEN1 (0.38) POLBMEN1KMT2AP2RX7HTT
SCHEMBL4049953 0.82 SMN1; SMN2 (0.40) POLBBRD4CNR1CNR2PRKAA2
SCHEMBL4202472 0.78 SMN1; SMN2 (0.48) MEN1KMT2ATHRBLIPG
SCHEMBL4207851 0.74 POLB (0.42) POLBBRD4MEN1KMT2ACNR1
SCHEMBL4047078 0.74 SMN1; SMN2 (0.41) POLBMEN1KMT2A
SCHEMBL4745225 0.70 GRM2 (0.39) HTTGRM2
SCHEMBL3906226 0.70 ALDH1A1 (0.38) MEN1KMT2AP2RX7HTTGRM2
SCHEMBL13947768 0.68 POLB (0.53) POLBMEN1KMT2ATHRBGRM2
SCHEMBL4198902 0.67 MEN1 (0.62) POLBMEN1KMT2ATHRBHTT
SCHEMBL4049646 0.67 LMNA (0.49) POLBMEN1KMT2ATHRBCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 EP claimed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US claimed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US claimed
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 EP claimed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 WO claimed
EP-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 EP disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 EP disclosed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 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 (1 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-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP POLB 27/4885BRD4 454/4885MEN1 4287/4885

“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.