SCHEMBL24073814

SCHEMBL24073814

CN(c1c(Nc2nc(Cl)nc3ccsc23)ccc2nccnc12)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.36
▸ TNNI3K Q59H18 1/20 0.36
▸ PIP4K2C Q8TBX8 1/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ TUBA1C Q9BQE3 1/20 0.33
▸ TUBB6 Q9BUF5 1/20 0.33
▸ TUBB2B Q9BVA1 1/20 0.33
▸ TUBB1 Q9H4B7 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
SCHEMBL27238034 0.81 ALK (0.38) ALKEGFRADRA2AADRA2BADRA2C
SCHEMBL31147638 0.81 ALK (0.38) ALKEGFRADRA2AADRA2BADRA2C
SCHEMBL29785384 0.79 MEN1 (0.39) ALKEGFRKDRADRA2AADRA2B
SCHEMBL24073385 0.79 MEN1 (0.39) ALKEGFRKDRADRA2AADRA2B
SCHEMBL25056361 0.78 EGFR (0.40) ADORA2AADORA1EGFR
SCHEMBL24379260 0.77 ALK (0.41) BRAFTNNI3KPIP4K2CADORA2AADORA1
SCHEMBL26380246 0.74 EGFR (0.52) ALKEGFR
SCHEMBL26380257 0.73 EGFR (0.53) ALKEGFR
SCHEMBL26378809 0.72 — —
SCHEMBL19867182 0.70 ALK (0.46) PIP4K2CADORA2AADORA1PAK4JAK2

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 BRAF 6/4885TNNI3K 120/4885PIP4K2C 375/4885

“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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