SCHEMBL25821833

SCHEMBL25821833

COc1cc(C2=CCOCC2)c(-c2cnn(C)c2)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.42
▸ ERN1 O75460 2/20 0.37
▸ SUV39H2 Q9H5I1 2/20 0.36
▸ LOXL2 Q9Y4K0 2/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ GCK P35557 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.33
▸ 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

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
SCHEMBL23421508 0.82 TGFBR1 (0.39) ERN1SUV39H2LOXL2CYP1A2
SCHEMBL29257866 0.79 ERN1 (0.37) ERN1SUV39H2LOXL2BRD4CREBBP
SCHEMBL29877446 0.79 ERN1 (0.37) ERN1SUV39H2LOXL2BRD4CREBBP
SCHEMBL29757760 0.79 ERN1 (0.38) TTKERN1LOXL2HTTSIRT6
SCHEMBL19175170 0.77 SUV39H2 (0.39) SUV39H2GCKKMT2AHTTALDH1A1
SCHEMBL23441992 0.77 TYRO3 (0.39) ERN1SUV39H2LOXL2BRD4CREBBP
SCHEMBL22950918 0.76 S1PR1 (0.46) KMT2AHTTALDH1A1CYP1A2CYP2C19
SCHEMBL23421138 0.76 ERN1 (0.44) ERN1LOXL2KMT2AHTTSIRT6
SCHEMBL22951339 0.76 ERN1 (0.44) ERN1LOXL2SIRT6ALDH1A1CYP1A2
SCHEMBL30748501 0.76 ERN1 (0.44) ERN1LOXL2KMT2AHTTSIRT6

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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 — — US disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 — — 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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 TTK 174/4885ERN1 2009/4885SUV39H2 3646/4885

“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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