SCHEMBL4198610

SCHEMBL4198610

COC(=O)c1nn2c(c1OCc1ccccc1)C(=O)NCC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
RNASEH1 O60930 1/20 0.37
GAA P10253 2/20 0.37
JMJD6 Q6NYC1 1/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX5 P09917 1/20 0.36
KMT2A Q03164 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL4199689 0.94 USP2 (0.43) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL18632628 0.89 ALOX5 (0.38) USP2ALDH1A1TSHRHSD17B10GAA
SCHEMBL4199776 0.83 KDM4E (0.37) USP2ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL4196385 0.82 LMNA (0.44) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL18660060 0.81 ALPL (0.36) ALDH1A1TSHRLMNAHPGDGAA
SCHEMBL4202996 0.79 LMNA (0.42) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL18660067 0.78 USP2 (0.41) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL4196402 0.78 ALDH1A1 (0.41) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL20014866 0.76 PARP1 (0.48) USP2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL4197780 0.75 AGTR2 (0.40) USP2ALDH1A1TSHRHSD17B10LMNA

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
US-20170081331-A1 Pyrazolopyrazines and their use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
US-20170081331-A1 Pyrazolopyrazines and their use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
WO-2017046362-A1 PYRAZOLOPYRAZINES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-23 WO disclosed
WO-2017046362-A1 PYRAZOLOPYRAZINES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-23 WO disclosed
WO-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed
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 (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-20170081331-A1 Pyrazolopyrazines and their use in the treatment, amelioration or prevention of a viral disease XDH, MAPT, CYP3A43 USP2 3973/4885ALDH1A1 1459/4885TSHR 3579/4885
US-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP USP2 4226/4885ALDH1A1 3490/4885TSHR 3017/4885

“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.