SCHEMBL2991593

SCHEMBL2991593

Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
HSD17B10 Q99714 5/20 1.00
ALDH1A1 P00352 2/20 0.71
ADORA2A P29274 2/20 0.66
ADORA1 P30542 2/20 0.66
PTGS2 P35354 1/20 0.63
MAPK1 P28482 3/20 0.56
RAB9A P51151 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MEN1 O00255 1/20 0.56
S1PR4 O95977 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
S1PR1 P21453 1/20 0.56
SDHB P21912 1/20 0.56
STAT3 P40763 1/20 0.56
STAT1 P42224 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL18527435 0.83 HSD17B10 (0.71) KDM4EHSD17B10ALDH1A1ADORA2AADORA1
SCHEMBL4904514 0.80 ADORA2A (1.00) KDM4EHSD17B10ALDH1A1ADORA2AADORA1
SCHEMBL2849715 0.79 HSD17B10 (0.65) KDM4EHSD17B10ALDH1A1ADORA2AMAPK1
SCHEMBL2849704 0.79 MEN1 (0.66) KDM4EHSD17B10ALDH1A1ADORA2AMAPK1
SCHEMBL28496965 0.78 HSD17B10 (0.64) KDM4EHSD17B10ALDH1A1ADORA2AMAPK1
SCHEMBL5785867 0.78 PTGS2 (1.00) KDM4EHSD17B10ALDH1A1PTGS2RAB9A
SCHEMBL19417246 0.77 ADORA2A (0.91) KDM4EHSD17B10ALDH1A1ADORA2AADORA1
SCHEMBL10900625 0.76 HSP90AA1 (0.71) KDM4EHSD17B10ALDH1A1ADORA2AADORA1
SCHEMBL5750164 0.76 KDM4E (0.60) KDM4EHSD17B10ALDH1A1PTGS2NPSR1
SCHEMBL28145393 0.76 ADORA2A (0.73) KDM4EHSD17B10ALDH1A1ADORA2AADORA1

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-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-01-24 US disclosed
EP-3823726-A1 SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY F. Hoffmann-La Roche SA (CH) 2021-05-26 EP disclosed
CN-112437683-A Sulfonylurea compounds useful as inhibitors of interleukin-1 activity 豪夫迈·罗氏有限公司 2021-03-02 CN disclosed
WO-2020018970-A1 SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2020-01-23 WO disclosed
US-20150259329-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA CELLULAR THERAPIES INC (US) 2015-09-17 US disclosed
US-9056837-B2 Heterocycle compounds and uses thereof INTRA-CELLULAR THERAPIES, INC. (US) 2015-06-16 US disclosed
US-20130123269-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES, INC. (US) 2013-05-16 US disclosed
US-8367686-B2 Heterocycle compounds and uses thereof INTRA-CELLULAR THERAPIES, INC. (US) 2013-02-05 US disclosed
US-20100173924-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES INC. 2010-07-08 US disclosed
EP-2166858-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF Intra-Cellular Therapies, Inc. (US) 2010-03-31 EP disclosed
WO-2008153959-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES, INC. (US) 2008-12-18 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 (4 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-20150259329-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF PYGB, BACE1, APP KDM4E 3588/4885HSD17B10 1340/4885ALDH1A1 2057/4885
US-20100173924-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF PYGB, BACE1, APP KDM4E 3515/4885HSD17B10 1420/4885ALDH1A1 2149/4885
US-20130123269-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF PYGB, BACE1, APP KDM4E 3588/4885HSD17B10 1340/4885ALDH1A1 2057/4885
US-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 KDM4E 4310/4885HSD17B10 2597/4885ALDH1A1 1315/4885

“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.