SCHEMBL29487166

SCHEMBL29487166

Cn1ncc2cc(Oc3ccc([N+](=O)[O-])cc3F)c(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.44
S1PR4 O95977 1/20 0.43
GLS O94925 1/20 0.42
HIPK4 Q8NE63 1/20 0.39
ATM Q13315 1/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
PLK4 O00444 1/20 0.36
NTRK1 P04629 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
AXL P30530 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
MST1R Q04912 1/20 0.36
DDR1 Q08345 1/20 0.36
MERTK Q12866 1/20 0.36
CAMK4 Q16566 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
SCHEMBL679255 1.00 HSPB1 (0.44) HSPB1S1PR4GLSHIPK4ATM
SCHEMBL30444837 0.89 GLS (0.42) HSPB1S1PR4GLSMAPTL3MBTL1
SCHEMBL23629417 0.89 GLS (0.42) HSPB1S1PR4GLSMAPTL3MBTL1
SCHEMBL679110 0.86 SERPINE1 (0.43) HSPB1S1PR4GLSMAPTL3MBTL1
SCHEMBL23629534 0.86 HSPB1 (0.42) HSPB1S1PR4GLSMAPTL3MBTL1
SCHEMBL30445099 0.86 HSPB1 (0.42) HSPB1S1PR4GLSMAPTL3MBTL1
SCHEMBL681119 0.84 ATM (0.54) HSPB1GLSHIPK4ATMMAPT
SCHEMBL679474 0.83 ALDH1A1 (0.44) HSPB1S1PR4GLSMAPTL3MBTL1
SCHEMBL23081442 0.82 CCNT1 (0.42) HSPB1S1PR4GLSATMMAPT
SCHEMBL680355 0.81 PLK4 (0.53) HSPB1S1PR4GLSMAPTL3MBTL1

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
CN-116283916-B Compound with Axl and c-Met kinase inhibition activity and preparation and application thereof 中国科学院上海药物研究所 2024-06-11 CN disclosed
CN-116283916-A Compound with Axl and c-Met kinase inhibition activity and preparation and application thereof 中国科学院上海药物研究所 2023-06-23 CN 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
CN-112457295-B Compound with Axl and c-Met kinase inhibitory activity and preparation and application thereof 中国科学院上海药物研究所 2022-07-26 CN disclosed
CN-114206883-A Oxopyridine fused ring derivative and pharmaceutical composition comprising the same 伟迈可生物有限公司 2022-03-18 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 (1 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-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS NTRK1, NTRK3, MUSK HSPB1 940/4885S1PR4 3268/4885GLS 2436/4885

“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.