SCHEMBL17697326

SCHEMBL17697326

CSc1ccc2n[nH]nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
CDK1 P06493 2/20 0.44
PIM1 P11309 2/20 0.44
PIM3 Q86V86 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
MAPK13 O15264 1/20 0.44
TSHR P16473 2/20 0.42
TYMS P04818 1/20 0.41
FGFR1 P11362 1/20 0.38
MCL1 Q07820 1/20 0.37
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 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
SCHEMBL621372 0.71 TGFBR1 (0.44) KDM4EALDH1A1HPGDCDK1PIM1
SCHEMBL19413409 0.70 ENPP2 (0.48) ALDH1A1TSHRTYMSFGFR1MCL1
SCHEMBL14820311 0.69 KDM4E (0.39) KDM4EALDH1A1HPGDTSHRTYMS
SCHEMBL21642420 0.68 TDP1 (0.44) KDM4EALDH1A1HPGDCDK1PIM1
SCHEMBL24478696 0.65 ALDH1A1 (0.35) KDM4EALDH1A1HPGDCDK1PIM1
SCHEMBL1976000 0.65 QPCT (0.45) KDM4EALDH1A1HPGDTSHRFGFR1
SCHEMBL1976001 0.65 QPCT (0.55) KDM4EMAPT
SCHEMBL4540271 0.65 CYP1A2 (0.63) KDM4ETYMS
SCHEMBL8637909 0.65 AKR1C3 (0.52) KDM4EALDH1A1HPGDTSHRTYMS
SCHEMBL8733538 0.64 QPCT (0.44) KDM4EALDH1A1HPGDTSHRFGFR1

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
US-11542297-B2 Compositions and methods for treating CNS disorders SAGE THERAPEUTICS, INC. (US) 2023-01-03 US disclosed
US-11530237-B2 Compositions and methods for treating CNS disorders SAGE THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-20220220150-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2022-07-14 US disclosed
US-20220213137-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2022-07-07 US disclosed
EP-3885352-A1 A COMPOUND, COMPOSITIONS THEREOF AND THIS COMPOUND FOR USE IN METHODS OF TREATING CNS DISORDERS Sage Therapeutics, Inc. (US) 2021-09-29 EP disclosed
US-20200392177-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2020-12-17 US disclosed
US-10577390-B2 Compositions and methods for treating CNS disorders SAGE THERAPEUTICS, INC. (US) 2020-03-03 US disclosed
US-20170240589-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2017-08-24 US disclosed
US-20170240589-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2017-08-24 US disclosed
WO-2016061527-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. (US) 2016-04-21 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 (7 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-11530237-B2 Compositions and methods for treating CNS disorders ADRA1B, ADRA2B, ADRA1A DYRK1A 2150/4885KDM4E 1272/4885ALDH1A1 615/4885
US-10577390-B2 Compositions and methods for treating CNS disorders ADRA1B, ADRA2B, GRIN2B DYRK1A 1943/4885KDM4E 1293/4885ALDH1A1 578/4885
US-20220220150-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS ADRA1B, ADRA2B, ADRA1A DYRK1A 2139/4885KDM4E 1264/4885ALDH1A1 622/4885
US-20200392177-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS ADRA1B, ADRA2B, ADRA1A DYRK1A 2150/4885KDM4E 1272/4885ALDH1A1 615/4885
US-20170240589-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS ADRA1B, ADRA2B, ADRA1A DYRK1A 1958/4885KDM4E 1215/4885ALDH1A1 573/4885
US-11542297-B2 Compositions and methods for treating CNS disorders ADRA1B, ADRA2B, ADRA1A DYRK1A 2139/4885KDM4E 1264/4885ALDH1A1 622/4885
US-20220213137-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS ADRA1B, ADRA2B, ADRA1A DYRK1A 2044/4885KDM4E 1116/4885ALDH1A1 598/4885

“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.