SCHEMBL21885673

SCHEMBL21885673

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
GAA P10253 2/20 0.58
POLB P06746 1/20 0.58
THRB P10828 1/20 0.58
KDR P35968 3/20 0.46
EPHB4 P54760 2/20 0.44
TEK Q02763 2/20 0.44
MCHR1 Q99705 1/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
WDR5 P61964 1/20 0.38
IGF2BP2 Q9Y6M1 1/20 0.37
GPR3 P46089 1/20 0.36
KCNK2 O95069 1/20 0.36
KCNK10 P57789 1/20 0.36

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
SCHEMBL15563193 0.79 GAA (0.54) ALDH1A1GAAPOLBTHRBKDR
SCHEMBL9475099 0.79 POLB (0.65) ALDH1A1GAAPOLBTHRBKDR
SCHEMBL5660190 0.75 THRB (0.61) ALDH1A1GAAPOLBTHRBKDR
SCHEMBL2539977 0.73 ALDH1A1 (0.58) ALDH1A1GAAPOLBTHRBKDR
SCHEMBL4610185 0.73 PDK1 (0.60) ALDH1A1GAAPOLBTHRBKDR
SCHEMBL21885655 0.73 KCNK2 (0.40) ALDH1A1MAPTTSHRHTTKDM4E
SCHEMBL21885662 0.72 GAA (0.57) ALDH1A1GAAPOLBTHRBKDR
SCHEMBL29643277 0.72 GAA (0.57) ALDH1A1GAAPOLBTHRBKDR
SCHEMBL4199019 0.71 ALDH1A1 (0.55) ALDH1A1GAAPOLBTHRBKDR
SCHEMBL21885651 0.70 WDR5 (0.34) WDR5L3MBTL1

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 ALDH1A1 742/4885GAA 1177/4885POLB 3699/4885
US-10882832-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A ALDH1A1 742/4885GAA 1177/4885POLB 3699/4885
US-11401249-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A ALDH1A1 742/4885GAA 1177/4885POLB 3699/4885
US-20200181102-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF GRIN2A, GRIN2C, GRIN3A ALDH1A1 742/4885GAA 1177/4885POLB 3699/4885
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A ALDH1A1 742/4885GAA 1177/4885POLB 3699/4885
US-11639337-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A ALDH1A1 742/4885GAA 1177/4885POLB 3699/4885
US-20210094925-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF GRIN2A, GRIN2C, GRIN3A ALDH1A1 742/4885GAA 1177/4885POLB 3699/4885

“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.