SCHEMBL21885658

SCHEMBL21885658

NC(=[Se])Nc1ccc(C(F)(F)F)cc1I

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KIF11 P52732 7/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS1 P23219 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL21983781 0.85 KIF11 (0.50) ALDH1A1MAPTKIF11MEN1KMT2A
SCHEMBL15955512 0.78 ALDH1A1 (0.42) ALDH1A1MAPTKIF11MEN1KMT2A
SCHEMBL6824888 0.78 MEN1 (0.51) KIF11MEN1KMT2AGAAPTGS1
SCHEMBL21885668 0.76 TAS2R14 (0.48) ALDH1A1MAPTKIF11MEN1KMT2A
SCHEMBL27668346 0.76 ALDH1A1 (0.40) ALDH1A1MAPTKIF11MEN1KMT2A
SCHEMBL25350490 0.71 KCNMA1 (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL463622 0.71 CYP1A2 (0.54) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL21885675 0.70 RXFP1 (0.43) ALDH1A1MAPTKIF11MEN1KMT2A
SCHEMBL29643387 0.70 RXFP1 (0.43) ALDH1A1MAPTKIF11MEN1KMT2A
SCHEMBL30908219 0.68 TSHR (0.65) MEN1KMT2AGAAL3MBTL1RXFP1

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 742/4885MAPT 842/4885KIF11 3389/4885
US-10882832-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A ALDH1A1 742/4885MAPT 842/4885KIF11 3389/4885
US-11401249-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A ALDH1A1 742/4885MAPT 842/4885KIF11 3389/4885
US-20200181102-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF GRIN2A, GRIN2C, GRIN3A ALDH1A1 742/4885MAPT 842/4885KIF11 3389/4885
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A ALDH1A1 742/4885MAPT 842/4885KIF11 3389/4885
US-11639337-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A ALDH1A1 742/4885MAPT 842/4885KIF11 3389/4885
US-20210094925-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF GRIN2A, GRIN2C, GRIN3A ALDH1A1 742/4885MAPT 842/4885KIF11 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.