SCHEMBL21733739

SCHEMBL21733739

CC(C)c1nc(N)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
BACE1 P56817 3/20 0.37
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PIK3CD O00329 1/20 0.33
MPO P05164 1/20 0.32
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
MLYCD O95822 1/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
MCHR1 Q99705 1/20 0.31
KIF11 P52732 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
SCHEMBL24854410 0.85 KDM4E (0.39) KDM4EALDH1A1KMT2ABACE1NOS3
SCHEMBL22031958 0.82 KDM4E (0.37) KDM4EALDH1A1KMT2ABACE1F2
SCHEMBL20288409 0.81 XPO1 (0.36) XPO1
SCHEMBL21139917 0.78 CYP3A4 (0.37) KDM4EALDH1A1KMT2AGAATSHR
SCHEMBL12763753 0.77 KIF11 (0.31) KIF11XPO1
SCHEMBL22062851 0.74 CYP1A2 (0.42) KDM4EALDH1A1GAATSHRMCHR1
SCHEMBL25163406 0.74 CYP11B2 (0.39) ALDH1A1KMT2A
SCHEMBL22489583 0.74 CYP1A2 (0.45) ALDH1A1GAATSHRXPO1HSD17B10
SCHEMBL14108794 0.74 NOS3 (0.52) KDM4EALDH1A1KMT2ABACE1NOS3
SCHEMBL29937121 0.74 NOS3 (0.52) KDM4EALDH1A1KMT2ABACE1NOS3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 US disclosed
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-10-26 US disclosed
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-10-26 US disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11236068-B2 Fused ring compounds GENENTECH, INC. (US) 2022-02-01 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
WO-2021152149-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2021-08-05 WO disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 US disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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 (14 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-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 KDM4E 4302/4885ALDH1A1 3223/4885KMT2A 3065/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM4E 2522/4885ALDH1A1 476/4885KMT2A 2755/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS KDM4E 3543/4885ALDH1A1 2917/4885KMT2A 2941/4885
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L KDM4E 553/4885ALDH1A1 1000/4885KMT2A 391/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B KDM4E 1390/4885ALDH1A1 838/4885KMT2A 2981/4885
US-20230339910-A1 RAS INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 3677/4885ALDH1A1 3682/4885KMT2A 2991/4885
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF AZI2, HDAC5, HDAC4 KDM4E 206/4885ALDH1A1 362/4885KMT2A 143/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR KDM4E 2655/4885ALDH1A1 193/4885KMT2A 3790/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM4E 1442/4885ALDH1A1 823/4885KMT2A 4050/4885
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR KDM4E 2655/4885ALDH1A1 193/4885KMT2A 3790/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KDM4E 2522/4885ALDH1A1 476/4885KMT2A 2755/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR KDM4E 2655/4885ALDH1A1 193/4885KMT2A 3790/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS KDM4E 3651/4885ALDH1A1 3208/4885KMT2A 2137/4885
US-11236068-B2 Fused ring compounds KRAS, NRAS, HRAS KDM4E 3124/4885ALDH1A1 3258/4885KMT2A 3312/4885

“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.