SCHEMBL3480924

SCHEMBL3480924

c1csc(CNC2CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.53
MAOB P27338 1/20 0.53
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
TRPM5 Q9NZQ8 1/20 0.40
CYP2C19 P33261 1/20 0.40
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
IGF1R P08069 1/20 0.38
GRIN2B Q13224 1/20 0.37
CDK9 P50750 1/20 0.37
FDPS P14324 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 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
SCHEMBL14492292 0.92 KDM1A (0.47) KDM1AMAOBCHRM2CHRM1CHRM3
SCHEMBL14506765 0.92 KDM1A (0.47) KDM1AMAOBCHRM2CHRM1CHRM3
SCHEMBL12120470 0.82 CHRM2 (0.54) KDM1AMAOBCHRM2CHRM1CHRM3
SCHEMBL221764 0.82 HRH3 (0.43) KDM1AMAOBCYP2C19ADORA3ALDH1A1
SCHEMBL2311217 0.74 CYP2C19 (0.46) KDM1AMAOBCHRM2CHRM1CHRM3
SCHEMBL8155144 0.74 TSHR (0.47) KDM1AMAOBCYP2C19CYP2D6TSHR
SCHEMBL4574553 0.73
SCHEMBL22593333 0.73
SCHEMBL20492655 0.71 ACHE (0.64) GRIN2BMEN1KMT2A
SCHEMBL178402 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3509627-A1 LYSINE SPECIFIC HISTONE DEMETHYLASE-1 INHIBITORS AND USES THEREFOR University of Canberra (AU) 2019-07-17 EP disclosed
WO-2018045422-A1 LYSINE SPECIFIC HISTONE DEMETHYLASE-1 INHIBITORS AND USES THEREFOR UNIVERSITY OF CANBERRA (AU) 2018-03-15 WO disclosed
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-06-08 US disclosed
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-06-08 US disclosed
US-7781457-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-7781457-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-7781457-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-20060270704-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-11-30 US disclosed
CN-1856473-A Isoquinolinone potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN 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-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 KDM1A 4825/4885MAOB 2108/4885CHRM2 2264/4885
US-20060270704-A1 Isoquinolinone potassium channel inhibitors KCNJ2, KCNQ1, KCNQ2 KDM1A 740/4885MAOB 2923/4885CHRM2 2938/4885

“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.