SCHEMBL23629468

SCHEMBL23629468

COc1cc2cn[nH]c2c(CCCl)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.43
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ AMY1A P0DUB6 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ RET P07949 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ HTT P42858 2/20 0.30
▸ POLB P06746 2/20 0.30
▸ GAA P10253 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL30444527 1.00 AXL (0.43) AXLHTR2AHTR2CTLR8ADORA3
SCHEMBL23629462 0.70 AXL (0.42) AXLHTR2AHTR2CADORA3ADORA1
SCHEMBL14995475 0.70 AXL (0.51) AXLHTR2AHTR2CTLR8ADORA3
SCHEMBL2433235 0.65 AXL (0.49) AXLHTR2AHTR2CADORA3ADORA1
SCHEMBL3396139 0.65 CA2 (0.43) HTR2AHTR2CALDH1A1AMY1AMAPT
SCHEMBL680200 0.64 AXL (0.87) AXLHTR2AHTR2CTLR8ALDH1A1
SCHEMBL25204558 0.64 AXL (0.44) AXLHTR2AHTR2CTLR8ADORA3
SCHEMBL3560175 0.62 AXL (0.73) AXLTLR8ALDH1A1KDM4EHSD17B10
SCHEMBL24032943 0.62 AXL (0.49) AXLHTR2AHTR2CADORA3ADORA1
SCHEMBL5483794 0.61 HPGD (0.62) AXLHTR2AHTR2CALDH1A1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952364-B2 TRK inhibitors useful as anticancer drugs TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2024-04-09 — — US disclosed
CN-112739691-B TRK inhibitors as anticancer agents 泰励生物科技(上海)有限公司 2023-05-23 — — CN disclosed
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2022-12-08 — — US disclosed
EP-3848365-A1 TRK INHIBITOR AS ANTI-CANCER DRUG Tyligand Bioscience (Shanghai) Limited (CN) 2021-07-14 — — EP disclosed
EP-3848365-A1 TRK INHIBITOR AS ANTI-CANCER DRUG Tyligand Bioscience (Shanghai) Limited (CN) 2021-07-14 — — EP disclosed
CN-112739691-A TRK inhibitors as anticancer agents 泰励生物科技(上海)有限公司 2021-04-30 — — 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 (2 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-11952364-B2 TRK inhibitors useful as anticancer drugs NTRK1, NTRK3, MUSK AXL 187/4885HTR2A 3404/4885HTR2C 3191/4885
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS NTRK1, NTRK3, MUSK AXL 187/4885HTR2A 3404/4885HTR2C 3191/4885

“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.

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