SCHEMBL6952303

SCHEMBL6952303

COc1cccc2[nH]c(C(C)=O)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
ADORA2A P29274 1/20 0.54
HPSE Q9Y251 2/20 0.53
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
CBFB Q13951 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PARP1 P09874 5/20 0.47
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL30402898 0.88 MAOB (0.58) MAOBADORA2AHPSECYP3A4CYP2C19
SCHEMBL11738344 0.86 MAOB (0.53) MAOBADORA2AHPSECYP3A4CYP2C19
SCHEMBL23835766 0.84 MAOB (0.51) MAOBADORA2AHPSECYP3A4CYP2C19
SCHEMBL24740174 0.84 MAOB (0.51) MAOBADORA2AHPSECYP3A4CYP2C19
SCHEMBL25782833 0.84 MAOB (0.57) MAOBADORA2AHPSECYP3A4CYP2C19
SCHEMBL23836107 0.81 MAOB (0.55) MAOBADORA2AHPSECYP3A4CYP2C19
SCHEMBL6650618 0.77 CYP3A4 (0.54) MAOBADORA2AHPSECYP3A4CYP2C19
SCHEMBL1170818 0.76 CBFB (0.69) MAOBADORA2AHPSECYP3A4CYP2C19
SCHEMBL28267033 0.76 KDM4E (0.61) HPGDPARP1DHODHKDM4E
SCHEMBL6952309 0.75 CDK9 (0.48) CYP3A4CYP2C19ALDH1A1HPGDSMN1; SMN2

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-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-04-26 US disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2021-11-18 US disclosed
EP-0944616-B1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-06-04 EP disclosed
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use DYKE HAZEL JOAN (GB) 2002-07-18 US disclosed
US-6353010-B1 ENZYME INHIBITORS TUMOR NECROSIS FACTOR AND PHOSPHODIESTERASE FOR ANTIINFLAMMATORY AGENTS DARWIN DISCOVERY, LTD. (GB) 2002-03-05 US disclosed
EP-0944616-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-09-29 EP disclosed
WO-1998022460-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1998-05-28 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 (3 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-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof CTSV, CTRL, CTSL MAOB 1859/4885ADORA2A 4246/4885HPSE 277/4885
US-20210355111-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL MAOB 2548/4885ADORA2A 3773/4885HPSE 168/4885
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use PDE3B, PDE3A, PDE2A MAOB 396/4885ADORA2A 1267/4885HPSE 2379/4885

“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.