SCHEMBL24073825

SCHEMBL24073825

COc1ccc(N2CCC(C#N)CC2)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAK O14976 1/20 0.45
▸ CTSB P07858 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ DPP4 P27487 7/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38

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
SCHEMBL10208368 0.82 DPP4 (0.44) GAKCTSBCTSSCTSKDPP4
SCHEMBL24073829 0.81 CHEK1 (0.46) DPP4ALDH1A1KDM4ECYP3A4MEN1
Hydrochloric Acid SCHEMBL4880656 0.81 KDM4E (0.41) GAKCTSBCTSSCTSKDPP4
SCHEMBL24603026 0.79 SUV39H2 (0.45) DPP4ALDH1A1CYP3A4MEN1THRB
SCHEMBL15928735 0.79 S100B (0.56) ALDH1A1KDM4ECYP3A4MEN1THRB
SCHEMBL24073830 0.78 L3MBTL3 (0.57) ALDH1A1KDM4E
SCHEMBL15928736 0.77 S100B (0.59) ALDH1A1KDM4ECYP3A4MEN1THRB
SCHEMBL309544 0.77 L3MBTL3 (0.55) —
SCHEMBL1527171 0.76 MAPT (0.58) ALDH1A1KDM4ECYP3A4MEN1THRB
SCHEMBL30595859 0.76 MAPT (0.58) ALDH1A1KDM4ECYP3A4MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 — — US disclosed
WO-2021238827-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京红云生物科技有限公司 2021-12-02 — — WO 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-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 GAK 82/4885CTSB 946/4885CTSS 1474/4885

“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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