SCHEMBL24033831

SCHEMBL24033831

Cc1nc(-c2cccc([C@H](C)N)c2)c(CO)nc1-c1cccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 4/20 0.48
▸ EGFR P00533 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CTSA P10619 2/20 0.38
▸ SCN9A Q15858 5/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ CDC7 O00311 1/20 0.34
▸ DBF4 Q9UBU7 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ CCR4 P51679 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ SCN4A P35499 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN2A Q99250 1/20 0.33

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
SCHEMBL24033715 1.00 PTPN11 (0.48) PTPN11EGFRKCNH2CTSASCN9A
SCHEMBL30041434 1.00 PTPN11 (0.48) PTPN11EGFRKCNH2CTSASCN9A
SCHEMBL30041321 1.00 PTPN11 (0.48) PTPN11EGFRKCNH2CTSASCN9A
SCHEMBL24033835 1.00 PTPN11 (0.48) PTPN11EGFRKCNH2CTSASCN9A
SCHEMBL30040726 1.00 PTPN11 (0.48) PTPN11EGFRKCNH2CTSASCN9A
SCHEMBL24033828 0.83 PTPN11 (0.50) PTPN11EGFRKCNH2SCN9ACDC7
SCHEMBL30041508 0.81 PTPN11 (0.48) PTPN11EGFRKCNH2SCN9ACDC7
SCHEMBL24033834 0.81 PTPN11 (0.48) PTPN11EGFRKCNH2SCN9ACDC7
SCHEMBL24034250 0.79 PTPN11 (0.53) PTPN11EGFRKCNH2SCN9ACDC7
SCHEMBL30040174 0.79 PTPN11 (0.53) PTPN11EGFRKCNH2SCN9ACDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115353509-B Nitrogen-containing heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-12 — — CN disclosed
CN-115353509-A Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-18 — — CN disclosed
CN-111295374-B Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-04 — — CN disclosed
US-20210355105-A1 REGULATOR OF NITROGEN-CONTAINING HETEROAROMATIC DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2021-11-18 — — US disclosed
CN-111295374-A Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2020-06-16 — — 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-20210355105-A1 REGULATOR OF NITROGEN-CONTAINING HETEROAROMATIC DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF PTPN11, PTPN1, PTPN7 PTPN11 1/4885EGFR 1050/4885KCNH2 4613/4885

“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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