SCHEMBL24034170

SCHEMBL24034170

CNCc1cccc(-c2nc(C)c(-c3cccc(Cl)c3Cl)nc2CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 3/20 0.46
▸ HTR7 P34969 2/20 0.41
▸ EGFR P00533 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PRMT6 Q96LA8 6/20 0.40
▸ PRKACA P17612 1/20 0.39
▸ PRKACG P22612 1/20 0.39
▸ PRKACB P22694 1/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ CDC7 O00311 1/20 0.36
▸ DBF4 Q9UBU7 1/20 0.36
▸ MAP2K4 P45985 1/20 0.36
▸ CCR4 P51679 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR1E P28566 1/20 0.35

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
SCHEMBL30039350 1.00 PTPN11 (0.46) PTPN11HTR7EGFRKCNH2PRMT6
SCHEMBL30040734 0.87 PTPN11 (0.45) PTPN11EGFRKCNH2PRMT6
SCHEMBL24033716 0.87 PTPN11 (0.45) PTPN11EGFRKCNH2PRMT6
SCHEMBL24033828 0.87 PTPN11 (0.50) PTPN11EGFRKCNH2CDC7DBF4
SCHEMBL24034250 0.79 PTPN11 (0.53) PTPN11EGFRKCNH2AKT2CDC7
SCHEMBL30040174 0.79 PTPN11 (0.53) PTPN11EGFRKCNH2AKT2CDC7
SCHEMBL24033835 0.79 PTPN11 (0.48) PTPN11EGFRKCNH2CDC7DBF4
SCHEMBL24033715 0.79 PTPN11 (0.48) PTPN11EGFRKCNH2CDC7DBF4
SCHEMBL24033834 0.79 PTPN11 (0.48) PTPN11EGFRKCNH2CDC7DBF4
SCHEMBL24033831 0.79 PTPN11 (0.48) PTPN11EGFRKCNH2CDC7DBF4

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 1/4885HTR7 2228/4885EGFR 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.

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