SCHEMBL29970624

SCHEMBL29970624

O=c1ccc2ccc(Br)c(Cl)c2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA9 Q16790 5/20 0.58
F11 P03951 1/20 0.40
CA1 P00915 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
HCAR1 Q9BXC0 4/20 0.36
KMT2A Q03164 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
PTPN11 Q06124 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL21631578 1.00 CA12 (0.58) CA12CA9F11CA1CA3
SCHEMBL29496045 0.76 CA12 (0.58) CA12CA9F11CA1CA3
SCHEMBL3140886 0.76 CA12 (0.58) CA12CA9F11CA1CA3
SCHEMBL29153237 0.76 CA12 (0.53) CA12CA9F11CA1CA3
SCHEMBL4573974 0.76 CA12 (0.58) CA12CA9F11CA1CA3
SCHEMBL731556 0.73 CA12 (1.00) CA12CA9F11CA1CA3
SCHEMBL29153231 0.72 CA12 (0.49) CA12CA9F11KMT2APDE3B
SCHEMBL4589419 0.72 CA12 (0.53) CA12CA9CA1CA3CA4
SCHEMBL15662861 0.71 TNF (0.59) CA12CA9KMT2AHTR2AHTR2C
SCHEMBL31058113 0.71 TNF (0.59) CA12CA9KMT2AHTR2AHTR2C

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-112513050-B Heterocyclic compounds which inhibit SHP2 activity 大鹏药品工业株式会社 2024-12-20 CN disclosed
US-20240327388-A1 QUINOLINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN PHARMACEUTICALS JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-10-03 US disclosed
EP-4349831-A1 QUINOLINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN PHARMACEUTICALS Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2024-04-10 EP disclosed
CN-117222639-A Quinoline amine compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-12-12 CN disclosed
WO-2022247920-A1 QUINOLINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN PHARMACEUTICALS 江苏恒瑞医药股份有限公司 2022-12-01 WO disclosed
US-11466016-B2 Pharmaceutical compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-10-11 US 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-20240327388-A1 QUINOLINAMINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN PHARMACEUTICALS QARS1, THEM6, CYP4F11 CA12 4688/4885CA9 4552/4885F11 2535/4885
US-11466016-B2 Pharmaceutical compounds MAPT, CYP3A5, SLC5A1 CA12 638/4885CA9 1049/4885F11 661/4885

“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.