SCHEMBL2240681

SCHEMBL2240681

CN(C)C=CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2nccc(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
GAA P10253 2/20 0.42
RECQL P46063 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP2C19 P33261 2/20 0.36
TNF P01375 1/20 0.35
POLB P06746 1/20 0.35
PLK1 P53350 1/20 0.35
HTR6 P50406 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL2240673 1.00 MAPT (0.42) MAPTALDH1A1SMN1; SMN2GAARECQL
SCHEMBL2992544 0.84 SMN1; SMN2 (0.39) MAPTALDH1A1SMN1; SMN2GAARECQL
SCHEMBL2996618 0.83 SMN1; SMN2 (0.38) MAPTALDH1A1SMN1; SMN2GAARECQL
SCHEMBL2237471 0.82 LMNA (0.51) SMN1; SMN2MEN1KMT2ALMNAENPP3
SCHEMBL2244181 0.81 SMN1; SMN2 (0.37) MAPTALDH1A1SMN1; SMN2GAARECQL
SCHEMBL2244188 0.81 SMN1; SMN2 (0.37) MAPTALDH1A1SMN1; SMN2GAARECQL
SCHEMBL2303447 0.81 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL2303453 0.81 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL2998009 0.81 SMN1; SMN2 (0.36) MAPTALDH1A1SMN1; SMN2GAARECQL
SCHEMBL2990855 0.80 ALDH1A1 (0.36) MAPTALDH1A1SMN1; SMN2GAARECQL

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-3070086-B1 AZAINDOLE DERIVATIVE TAIHO PHARMACEUTICAL CO LTD (JP) 2018-11-21 EP disclosed
US-9782392-B2 Azaindole derivative TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-10-10 US disclosed
US-9676773-B2 Azaindole derivative TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-06-13 US disclosed
US-20170119743-A1 AZAINDOLE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-05-04 US disclosed
US-20160340353-A1 AZAINDOLE DERIVATIVE TAIHO PHARMARCEUTICAL CO., LTD. (JP) 2016-11-24 US disclosed
EP-3070086-A1 AZAINDOLE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2016-09-21 EP disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 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 (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-20170119743-A1 AZAINDOLE DERIVATIVE JAK3, JAK1, JAK2 MAPT 2774/4885ALDH1A1 2900/4885SMN1; SMN2 1656/4885
US-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 MAPT 2120/4885ALDH1A1 2581/4885SMN1; SMN2 1814/4885
US-20160340353-A1 AZAINDOLE DERIVATIVE JAK3, JAK1, JAK2 MAPT 4033/4885ALDH1A1 3354/4885SMN1; SMN2 3113/4885

“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.