SCHEMBL3985461

SCHEMBL3985461

Cc1nn(Cc2ccccc2)c(=O)c2c(O)c3n(c12)CCN(C)C3=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.39
PDE6D O43924 4/20 0.39
PDE6A P16499 4/20 0.39
PDE6G P18545 4/20 0.39
PDE6B P35913 4/20 0.39
PDE6C P51160 4/20 0.39
PDE6H Q13956 4/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.39
POLB P06746 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3985863 0.92 PKM (0.35) MEN1KMT2AGAAMAPTHPGD
SCHEMBL3986662 0.91 GAA (0.38) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL3985351 0.91 POLB (0.36) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL3989304 0.90 LMNA (0.41) POLBMEN1KMT2AMAPTHPGD
SCHEMBL3992564 0.90 PDE5A (0.38) PDE5APOLBMEN1KMT2AMAPT
SCHEMBL3983532 0.90 PKM (0.44) KMT2AGAAMAPT
SCHEMBL3983972 0.88 RXFP1 (0.40) ADORA1POLBMAPTHPGD
SCHEMBL3986669 0.88 TSHR (0.38) MEN1KMT2AMAPT
SCHEMBL3986060 0.87 PDE5A (0.45) PDE5AGAAMAPT
SCHEMBL3981492 0.87 MAOB (0.40) ADORA1POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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 (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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP PDE5A 422/4885PDE6D 2534/4885PDE6A 1589/4885

“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.