SCHEMBL368035

SCHEMBL368035

CCOC(=O)Cc1c[nH]c2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.63
MTNR1A P48039 1/20 0.55
GPR84 Q9NQS5 1/20 0.55
MAP2K1 Q02750 1/20 0.51
MET P08581 1/20 0.49
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.48
FGFR1 P11362 1/20 0.46
FGFR4 P22455 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
NUDT1 P36639 1/20 0.45

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
SCHEMBL1939545 0.87 GPR84 (0.59) PKMMTNR1AGPR84MAP2K1MET
SCHEMBL7971044 0.82 PPID (0.55) PKMMTNR1AGPR84MAP2K1MET
SCHEMBL857520 0.82 MTNR1A (0.53) PKMMTNR1AGPR84MAP2K1MET
SCHEMBL20912815 0.81 MTNR1A (0.66) MTNR1AGPR84MAP2K1METKMT2A
SCHEMBL368017 0.80 GPR84 (0.65) MTNR1AGPR84MAP2K1METMAPT
SCHEMBL2692513 0.79 GPR84 (0.73) MTNR1AGPR84MAP2K1METKMT2A
SCHEMBL31385845 0.79 GPR84 (0.73) MTNR1AGPR84MAP2K1METKMT2A
SCHEMBL25139542 0.79 GPR84 (0.59) MTNR1AGPR84MAP2K1METKMT2A
SCHEMBL2981093 0.79 GPR84 (0.63) MTNR1AGPR84MAP2K1METKMT2A
SCHEMBL3207080 0.78 PKM (0.63) PKMMAPTSMN1; SMN2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 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-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A PKM 3001/4885MTNR1A 4606/4885GPR84 3937/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A PKM 3001/4885MTNR1A 4606/4885GPR84 3937/4885

“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.