SCHEMBL17659028

SCHEMBL17659028

Cc1cc2c(c(N)c1Br)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 6/20 0.33
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LARS1 Q9P2J5 2/20 0.33
GRIA2 P42262 1/20 0.33
GAA P10253 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL21603395 0.87 HPGD (0.36) MEN1KMT2AHPGDNPSR1MAPT
SCHEMBL17659048 0.85 NQO2 (0.34) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL24778598 0.81 HPGD (0.40) MEN1KMT2AHPGDNPSR1MAPT
SCHEMBL19225447 0.78 MAPT (0.33) MEN1KMT2AHPGDNPSR1MAPT
SCHEMBL30329719 0.78 MAPT (0.40) MEN1KMT2AHPGDNPSR1MAPT
SCHEMBL21603522 0.77 GRIA2 (0.37) MEN1KMT2AHPGDNPSR1MAPT
SCHEMBL29284941 0.76 PARP1 (0.36)
SCHEMBL23013231 0.76 HTR2A (0.31)
SCHEMBL29362737 0.76 ALDH1A1 (0.47) MEN1KMT2AHPGDMAPTKDM4E
SCHEMBL3344312 0.76 ALDH1A1 (0.47) MEN1KMT2AHPGDMAPTKDM4E

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
CN-108558842-B Pyrimidine derivative anaplastic lymphoma kinase inhibitor 山东轩竹医药科技有限公司 2021-06-04 CN disclosed
CN-107108586-B Polycyclic anaplastic lymphoma kinase inhibitors 山东轩竹医药科技有限公司 2020-07-10 CN disclosed
CN-106146478-B Triazine derivatives species anaplastic lymphoma kinase inhibitor 海南轩竹医药科技有限公司 2019-07-16 CN disclosed
US-10011592-B2 Polycyclic inhibitor of anaplastic lymphoma kinase Xuanzhu Pharma Co., Ltd. (CN) 2018-07-03 US disclosed
US-10011592-B2 Polycyclic inhibitor of anaplastic lymphoma kinase Xuanzhu Pharma Co., Ltd. (CN) 2018-07-03 US disclosed
US-20180086745-A9 POLYCYCLIC INHIBITOR OF ANAPLASTIC LYMPHOMA KINASE Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2018-03-29 US disclosed
US-20180086745-A9 POLYCYCLIC INHIBITOR OF ANAPLASTIC LYMPHOMA KINASE Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2018-03-29 US disclosed
US-20170240534-A1 POLYCYCLIC INHIBITOR OF ANAPLASTIC LYMPHOMA KINASE XUANZHU PHARMA CO LTD (CN) 2017-08-24 US disclosed
US-20170240534-A1 POLYCYCLIC INHIBITOR OF ANAPLASTIC LYMPHOMA KINASE XUANZHU PHARMA CO LTD (CN) 2017-08-24 US disclosed
EP-3202765-A1 POLYCYCLIC ANAPLASTIC LYMPHOMA KINASE INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2017-08-09 EP disclosed
WO-2016050171-A1 POLYCYCLIC ANAPLASTIC LYMPHOMA KINASE INHIBITOR 山东轩竹医药科技有限公司 2016-04-07 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 (3 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-20180086745-A9 POLYCYCLIC INHIBITOR OF ANAPLASTIC LYMPHOMA KINASE IKBKE, DCK, CHUK MEN1 1808/4885KMT2A 685/4885HPGD 2824/4885
US-10011592-B2 Polycyclic inhibitor of anaplastic lymphoma kinase IKBKE, DCK, CHUK MEN1 1808/4885KMT2A 685/4885HPGD 2824/4885
US-20170240534-A1 POLYCYCLIC INHIBITOR OF ANAPLASTIC LYMPHOMA KINASE IKBKE, DCK, CHUK MEN1 1808/4885KMT2A 685/4885HPGD 2824/4885

“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.