SCHEMBL361388

SCHEMBL361388

[CH2]Nc1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ IDO1 P14902 1/20 0.51
▸ KCNA5 P22460 1/20 0.50
▸ SYK P43405 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GRM4 Q14833 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ PDK1 Q15118 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK3 Q15120 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ ENPP2 Q13822 1/20 0.44

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
SCHEMBL953597 0.82 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL18599498 0.81 KCNA5 (0.53) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL897627 0.78 IDO1 (0.61) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL22593332 0.78 MAPT (0.53) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL9492682 0.78 MAPT (0.53) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL25062056 0.78 MAPT (0.53) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL5948305 0.78 MAPT (0.53) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL361389 0.78 MAPT (0.53) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL14042535 0.78 MAPT (0.58) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL29574760 0.78 IDO1 (0.61) MAPTALDH1A1KMT2AMEN1IDO1

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 10 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 claimed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 — — US claimed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 — — US claimed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 — — EP claimed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 — — WO claimed
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-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

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 MAPT 2881/4885ALDH1A1 597/4885KMT2A 234/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A MAPT 2881/4885ALDH1A1 597/4885KMT2A 234/4885

“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.

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