SCHEMBL21885668

SCHEMBL21885668

NC(=[Se])Nc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
XBP1 P17861 2/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
AKR1B1 P15121 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KIF11 P52732 4/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL31394432 0.85 L3MBTL1 (0.51) TAS2R14MEN1KMT2AMAPTNPSR1
SCHEMBL18340946 0.85 L3MBTL1 (0.51) TAS2R14MEN1KMT2AMAPTNPSR1
SCHEMBL1703717 0.79 TAS2R14 (0.58) TAS2R14MEN1KMT2AMAPTNPSR1
SCHEMBL7254538 0.78 CYP1A2 (0.58) TAS2R14MEN1KMT2AMAPTNPSR1
SCHEMBL4568244 0.78 TAS2R14 (0.54) TAS2R14MEN1KMT2AMAPTNPSR1
SCHEMBL21885658 0.76 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL9197373 0.74 HDAC1 (0.51) TAS2R14MEN1KMT2AMAPTALDH1A1
SCHEMBL11818598 0.72 TAS2R14 (0.42) TAS2R14MEN1KMT2AMAPTNPSR1
SCHEMBL1007870 0.72 RXFP1 (0.53) TAS2R14MEN1KMT2AMAPTNPSR1
SCHEMBL3485581 0.72 SRPK1 (0.60) TAS2R14KMT2AMAPTNPSR1XBP1

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 TAS2R14 4573/4885MEN1 1879/4885KMT2A 1523/4885
US-10882832-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A TAS2R14 4573/4885MEN1 1879/4885KMT2A 1523/4885
US-11401249-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A TAS2R14 4573/4885MEN1 1879/4885KMT2A 1523/4885
US-20200181102-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF GRIN2A, GRIN2C, GRIN3A TAS2R14 4573/4885MEN1 1879/4885KMT2A 1523/4885
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A TAS2R14 4573/4885MEN1 1879/4885KMT2A 1523/4885
US-11639337-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A TAS2R14 4573/4885MEN1 1879/4885KMT2A 1523/4885
US-20210094925-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF GRIN2A, GRIN2C, GRIN3A TAS2R14 4573/4885MEN1 1879/4885KMT2A 1523/4885

“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.