SCHEMBL9924217

SCHEMBL9924217

C=C1Cc2ccc(C(C)C)cc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.33
CMA1 P23946 2/20 0.33
AHR P35869 2/20 0.33
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
KIF11 P52732 2/20 0.32
EIF2AK2 P19525 1/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL5523346 0.86 HPGD (0.40) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL9924346 0.84 HPGD (0.39) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL2607637 0.79 AHR (0.56) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL25467804 0.77 HPGD (0.49) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL25467803 0.77 HPGD (0.56) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL20273290 0.76 HTR5A (0.47) HSD17B10CMA1AHREIF2AK2GAA
SCHEMBL25893429 0.75 GFER (0.34) HPGDGFERHSD17B10LMNATRPA1
SCHEMBL26700324 0.74 HPGD (0.36) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL9924347 0.74 KIF11 (0.45) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL10042295 0.72 AHR (0.61) CMA1AHR

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
WO-2024071439-A1 FUSED RING COMPOUND AND PHARMACEUTICAL CONTAINING SAME 科研製薬株式会社 2024-04-04 WO disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-08-02 US disclosed
US-9066954-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2015-06-30 US disclosed
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-11-14 US disclosed
US-8524900-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2013-09-03 US disclosed
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-06-14 US disclosed
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 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-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HPGD 43/4885GFER 1976/4885HSD17B10 876/4885
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 HPGD 2003/4885GFER 4509/4885HSD17B10 2773/4885
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HPGD 43/4885GFER 1976/4885HSD17B10 876/4885
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET HPGD 478/4885GFER 3313/4885HSD17B10 2487/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 HPGD 2618/4885GFER 4115/4885HSD17B10 2946/4885
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HPGD 43/4885GFER 1976/4885HSD17B10 876/4885

“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.