SCHEMBL24034239

SCHEMBL24034239

Cc1nc2cccc(N3CCN(c4nc(C)c(-c5cccc(Cl)c5Cl)nc4CO)CC3)c2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 17/20 0.61
KCNH2 Q12809 2/20 0.53
EGFR P00533 1/20 0.53
SCN9A Q15858 2/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL30040568 1.00 PTPN11 (0.61) PTPN11KCNH2EGFRSCN9ADRD2
SCHEMBL30040744 0.82 PTPN11 (0.69) PTPN11KCNH2EGFRSCN9ADRD2
SCHEMBL24033795 0.82 PTPN11 (0.69) PTPN11KCNH2EGFRSCN9ADRD2
SCHEMBL24033719 0.80 PTPN11 (0.66) PTPN11KCNH2EGFRSCN9A
SCHEMBL25514319 0.78 PTPN11 (0.84) PTPN11KCNH2EGFR
SCHEMBL24033797 0.78 PTPN11 (0.60) PTPN11KCNH2EGFRDRD2DRD3
SCHEMBL30041299 0.78 PTPN11 (0.60) PTPN11KCNH2EGFRDRD2DRD3
SCHEMBL24033796 0.76 PTPN11 (0.69) PTPN11KCNH2EGFRSCN9A
SCHEMBL30040098 0.76 PTPN11 (0.69) PTPN11KCNH2EGFRSCN9A
SCHEMBL19785043 0.76 PTPN11 (1.00) PTPN11KCNH2EGFR

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 1/4885KCNH2 4613/4885EGFR 1050/4885

“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.