SCHEMBL4196385

SCHEMBL4196385

COC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRM5 P41594 2/20 0.40
MAPT P10636 4/20 0.38
PKM P14618 2/20 0.38
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM3 Q14832 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
SCHEMBL4196395 0.90 GRM5 (0.42) LMNAHPGDALDH1A1GRM5MAPT
SCHEMBL4049801 0.82 MEN1 (0.55) LMNAHPGDALDH1A1GRM5PKM
SCHEMBL4202996 0.82 LMNA (0.42) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL4198610 0.82 USP2 (0.44) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL18660603 0.81 HRH2 (0.33) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL4202940 0.80 ALDH1A1 (0.48) LMNAHPGDALDH1A1MAPTTDP1
SCHEMBL4056252 0.80 NPSR1 (0.41) HPGDALDH1A1HSD17B10MAPTTP53
SCHEMBL4199689 0.80 USP2 (0.43) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL4203827 0.80 LMNA (0.42) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL4196654 0.80 KMT2A (0.48) LMNAALDH1A1GRM5MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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-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 LMNA 2247/4885HPGD 1212/4885USP2 3973/4885
US-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP LMNA 3087/4885HPGD 2589/4885USP2 4226/4885

“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.