SCHEMBL943950

SCHEMBL943950

O=C(COc1ccc(-n2cnnn2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.66
ALDH1A1 P00352 5/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
USP2 O75604 2/20 0.63
MAPK1 P28482 1/20 0.63
GAA P10253 2/20 0.60
LMNA P02545 2/20 0.57
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 2/20 0.55
HSD17B10 Q99714 2/20 0.54
POLB P06746 2/20 0.54
TP53 P04637 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL9951224 0.90 USP2 (0.75) PKMALDH1A1SMN1; SMN2USP2MAPK1
SCHEMBL9950946 0.90 PKM (0.63) PKMALDH1A1SMN1; SMN2USP2MAPK1
SCHEMBL9950627 0.85 USP2 (0.65) PKMALDH1A1SMN1; SMN2USP2MAPK1
SCHEMBL9950635 0.85 MAPK1 (0.57) PKMALDH1A1SMN1; SMN2USP2MAPK1
SCHEMBL9950690 0.82 PKM (0.83) PKMALDH1A1SMN1; SMN2USP2GAA
SCHEMBL10080588 0.82 USP2 (0.74) ALDH1A1USP2MAPK1LMNATDP1
SCHEMBL9950645 0.82 MAPK1 (0.55) ALDH1A1SMN1; SMN2USP2MAPK1GAA
SCHEMBL10064243 0.81 USP2 (0.72) ALDH1A1USP2MAPK1LMNATDP1
SCHEMBL12943691 0.80 USP2 (0.55) PKMALDH1A1SMN1; SMN2USP2MAPK1
SCHEMBL18286669 0.79 NPC1 (0.53) PKMALDH1A1SMN1; SMN2USP2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
EP-2448581-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 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 (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-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 PKM 10/4885ALDH1A1 1240/4885SMN1; SMN2 3566/4885

“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.