SCHEMBL21885655

SCHEMBL21885655

NC(=[Se])Nc1ccc(SC(F)(F)F)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 11/20 0.40
KCNK10 P57789 9/20 0.40
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRZ1 P23471 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL27783028 0.75 KCNK2 (0.43) KCNK2KCNK10KIF11ALDH1A1LMNA
SCHEMBL21885673 0.73 ALDH1A1 (0.58) KCNK2KCNK10ALDH1A1KDM4EHTT
SCHEMBL21885669 0.72 KCNK2 (0.39) KCNK2KCNK10KIF11ALDH1A1KDM4E
SCHEMBL29643314 0.72 KCNK2 (0.39) KCNK2KCNK10KIF11ALDH1A1KDM4E
SCHEMBL21885651 0.70 WDR5 (0.34) KIF11CA1CA2L3MBTL1
SCHEMBL6090788 0.70 KDM4E (0.52) KCNK2KCNK10KIF11ALDH1A1KDM4E
SCHEMBL21885668 0.68 TAS2R14 (0.48) KIF11ALDH1A1LMNAHTTMAPT
SCHEMBL21885653 0.68 KIF11 (0.48) KCNK2KCNK10KIF11ALDH1A1KDM4E
SCHEMBL15068206 0.68 KCNK2 (0.43) KCNK2KCNK10KIF11ALDH1A1KDM4E
SCHEMBL24616823 0.66 KDM4E (0.52) KCNK2KCNK10KIF11ALDH1A1KDM4E

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
EP-3601235-B1 BICYCLIC HETEROARYL DERIVATIVES, PREPARATION AND THERAPEUTIC USES THEREOF XWPHARMA LTD (KY) 2026-03-04 EP disclosed
US-11639337-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XWPharma Ltd. (KY) 2023-05-02 US disclosed
US-20220298127-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF XWPharma Ltd. (KY) 2022-09-22 US disclosed
CN-115025086-A Bicyclic heteroaryl derivatives, their preparation and use 凯瑞康宁生物工程(武汉)有限公司 2022-09-09 CN disclosed
US-11401249-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XWPharma Ltd. (KY) 2022-08-02 US disclosed
CN-110709386-B Bicyclic heteroaryl derivatives, their preparation and use 凯瑞康宁生物工程(武汉)有限公司 2022-06-07 CN disclosed
US-20210094925-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF XWPharma Ltd. (KY) 2021-04-01 US disclosed
US-10882832-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XW LABORATORIES INC. (KY) 2021-01-05 US disclosed
US-20200181102-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF XWPharma Ltd. (KY) 2020-06-11 US disclosed
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XW LABORATORIES INC. (KY) 2020-05-05 US disclosed
CN-110709386-A Bicyclic heteroaryl derivatives, their preparation and use 凯瑞康宁生物工程(武汉)有限公司 2020-01-17 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 (7 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-20220298127-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF GRIN2A, GRIN2C, GRIN3A KCNK2 1025/4885KCNK10 1741/4885KIF11 3389/4885
US-10882832-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A KCNK2 1025/4885KCNK10 1741/4885KIF11 3389/4885
US-11401249-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A KCNK2 1025/4885KCNK10 1741/4885KIF11 3389/4885
US-20200181102-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF GRIN2A, GRIN2C, GRIN3A KCNK2 1025/4885KCNK10 1741/4885KIF11 3389/4885
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A KCNK2 1025/4885KCNK10 1741/4885KIF11 3389/4885
US-11639337-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A KCNK2 1025/4885KCNK10 1741/4885KIF11 3389/4885
US-20210094925-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF GRIN2A, GRIN2C, GRIN3A KCNK2 1025/4885KCNK10 1741/4885KIF11 3389/4885

“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.