SCHEMBL17404485

SCHEMBL17404485

c1ccc2nn(C3CC3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.43
HRH3 Q9Y5N1 3/20 0.40
TLR8 Q9NR97 1/20 0.39
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
GLA P06280 1/20 0.33
ACHE P22303 1/20 0.33
CYP11B2 P19099 1/20 0.33
HSD17B13 Q7Z5P4 2/20 0.33
SLC6A2 P23975 1/20 0.33
NQO2 P16083 1/20 0.32
PDE10A Q9Y233 1/20 0.32
RPS6KB1 P23443 1/20 0.32
ROCK1 Q13464 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL29303031 0.92 KDM5A (0.41) KDM5AHRH3TLR8KDM4EMAPT
SCHEMBL28549617 0.91 HRH3 (0.42) KDM5AHRH3TLR8HPGDKDM4E
SCHEMBL20809468 0.88 TLR8 (0.52) KDM5ATLR8KDM4EALDH1A1MAPK1
SCHEMBL30177181 0.88 IRAK4 (0.42) KDM5A
SCHEMBL27213682 0.87 KDM5A (0.37) KDM5AHRH3TLR8DRD2DRD4
SCHEMBL27230993 0.87 KDM5A (0.37) KDM5AHRH3TLR8DRD2DRD4
Hydrochloric Acid SCHEMBL28859567 0.86 TLR8 (0.51) KDM5ATLR8
SCHEMBL29303756 0.83 KDM5A (0.38) KDM5AHRH3TLR8HPGDKDM4E
SCHEMBL27013368 0.82 KDM5A (0.40) KDM5AHRH3TLR8HPGDKDM4E
SCHEMBL20135458 0.81 KDM5A (0.53) KDM5AKDM4EALDH1A1

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-20210252011-A1 TREATMENT OF GLIOBLASTOMA WITH FASN INHIBITORS CORNELL UNIVERSITY 2021-08-19 US disclosed
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2021-07-15 US disclosed
US-10800750-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2020-10-13 US disclosed
US-10472342-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-11-12 US disclosed
US-10450286-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-22 US disclosed
US-10399951-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-09-03 US disclosed
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2018-02-22 US disclosed
US-20170312273-A1 METHODS OF USING FASN INHIBITORS FORMA THERAPEUTICS, INC. 2017-11-02 US disclosed
US-20170312273-A1 METHODS OF USING FASN INHIBITORS FORMA THERAPEUTICS, INC. 2017-11-02 US disclosed
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2016-01-07 US disclosed
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2016-01-07 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 (9 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-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD KDM5A 4157/4885HRH3 4167/4885TLR8 4414/4885
US-10399951-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD KDM5A 4019/4885HRH3 4413/4885TLR8 4254/4885
US-20170312273-A1 METHODS OF USING FASN INHIBITORS FASN, IL1RN, CCR1 KDM5A 2737/4885HRH3 1779/4885TLR8 1034/4885
US-10472342-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD KDM5A 3534/4885HRH3 4245/4885TLR8 4463/4885
US-20210252011-A1 TREATMENT OF GLIOBLASTOMA WITH FASN INHIBITORS AIFM2, FABP7, FASN KDM5A 4254/4885HRH3 4591/4885TLR8 4114/4885
US-10450286-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD KDM5A 3534/4885HRH3 4245/4885TLR8 4463/4885
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD KDM5A 4157/4885HRH3 4167/4885TLR8 4414/4885
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD KDM5A 4157/4885HRH3 4167/4885TLR8 4414/4885
US-10800750-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD KDM5A 3534/4885HRH3 4245/4885TLR8 4463/4885

“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.