SCHEMBL18201566

SCHEMBL18201566

N#CNC(=N)Nc1cccc(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
IDO1 P14902 1/20 0.54
ABCC9 O60706 1/20 0.52
KCNJ11 Q14654 1/20 0.52
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.49
GRM4 Q14833 1/20 0.48
HSD17B10 Q99714 2/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL15131517 0.83 MAPT (0.55) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL10384384 0.80 KMT2A (0.47) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL4678382 0.80 MEN1 (0.49) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL4682287 0.80 KMT2A (0.51) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL1185790 0.79 IDO1 (0.61) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL7873180 0.79 MAPT (0.58) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL24726744 0.78 CYP1A2 (0.46) MAPTALDH1A1KMT2AMEN1ABCC9
SCHEMBL18520538 0.78 CYP1A2 (0.46) MAPTALDH1A1KMT2AMEN1ABCC9
SCHEMBL4259667 0.78 CYP1A2 (0.46) MAPTALDH1A1KMT2AMEN1ABCC9
Hydrochloric Acid SCHEMBL2546143 0.78 IDO1 (0.59) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2023-08-10 US disclosed
US-11505538-B1 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2022-11-22 US disclosed
EP-3984997-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Les Laboratoires Servier SAS (FR) 2022-04-20 EP disclosed
US-10294215-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2019-05-21 US disclosed
EP-2800743-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-04-04 EP disclosed
US-20170298045-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-10-19 US disclosed
US-9732062-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9656999-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
US-20170044139-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-02-16 US disclosed
US-9512107-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-20160318903-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-11-03 US 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 (6 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-20160318903-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, MMP8 MAPT 3043/4885ALDH1A1 1337/4885KMT2A 3613/4885
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT MAPT 3808/4885ALDH1A1 923/4885KMT2A 2484/4885
US-11505538-B1 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT MAPT 3808/4885ALDH1A1 923/4885KMT2A 2484/4885
US-20170298045-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT MAPT 3808/4885ALDH1A1 923/4885KMT2A 2484/4885
US-20170044139-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT MAPT 3808/4885ALDH1A1 923/4885KMT2A 2484/4885
US-10294215-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT MAPT 3808/4885ALDH1A1 923/4885KMT2A 2484/4885

“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.