SCHEMBL21524692

SCHEMBL21524692

COc1cc2nc(C(C)(C)C)[nH]c(=O)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.53
▸ GAA P10253 1/20 0.53
▸ PDE3B Q13370 3/20 0.53
▸ PDE3A Q14432 3/20 0.53
▸ POLB P06746 2/20 0.52
▸ LMNA P02545 3/20 0.52
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51
▸ TUBA3C P0DPH7 1/20 0.51
▸ TUBA1B P68363 1/20 0.51
▸ TUBA4A P68366 1/20 0.51
▸ TUBB4B P68371 1/20 0.51
▸ TUBB3 Q13509 1/20 0.51
▸ TUBB2A Q13885 1/20 0.51
▸ TUBB8 Q3ZCM7 1/20 0.51
▸ TUBA3E Q6PEY2 1/20 0.51
▸ TUBA1A Q71U36 1/20 0.51
▸ TUBA1C Q9BQE3 1/20 0.51
▸ TUBB6 Q9BUF5 1/20 0.51
▸ TUBB2B Q9BVA1 1/20 0.51

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
SCHEMBL2722275 0.86 PDE3B (0.61) KDM4EGAAPDE3BPDE3APOLB
SCHEMBL21524691 0.79 TUBB4A (0.54) KDM4ELMNATUBB4ATUBBTUBA3C
SCHEMBL6128121 0.79 KDM4E (0.62) KDM4EGAAPDE3BPDE3APOLB
SCHEMBL3319211 0.78 KDM4E (0.56) KDM4EGAAPDE3BPDE3APOLB
SCHEMBL29533227 0.78 KDM4E (0.56) KDM4EGAAPDE3BPDE3APOLB
SCHEMBL17191953 0.78 SRC (0.41) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL14072478 0.78 KDM4E (0.56) KDM4EGAAPDE3BPDE3APOLB
SCHEMBL27167377 0.75 KDM4E (0.72) KDM4EGAAPDE3BPDE3ALMNA
SCHEMBL27167386 0.75 MEN1 (0.61) KDM4EGAAPDE3BPDE3APOLB
SCHEMBL30054584 0.75 MEN1 (0.61) KDM4EGAAPDE3BPDE3APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10456405-B2 Nitric oxide-releasing prodrug molecule of substituted quinazolines ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD (CN) 2019-10-29 — — US 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-10456405-B2 Nitric oxide-releasing prodrug molecule of substituted quinazolines PTGIS, NOS1, NOS2 KDM4E 2678/4885GAA 2739/4885PDE3B 6/4885

“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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