SCHEMBL22301307

SCHEMBL22301307

Nc1ncc(-c2ccc(OC(=O)C3CC3)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ELANE P08246 2/20 0.48
▸ ABL1 P00519 3/20 0.43
▸ F2 P00734 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ FABP7 O15540 1/20 0.41
▸ FABP3 P05413 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ MEN1 O00255 2/20 0.37

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
SCHEMBL11823665 0.78 KMT2A (0.83) KMT2ATDP1HTTSMN1; SMN2ELANE
SCHEMBL5316205 0.77 ELANE (0.70) KMT2ATDP1HTTSMN1; SMN2ELANE
SCHEMBL27695051 0.77 KMT2A (0.68) KMT2ATDP1HTTSMN1; SMN2ELANE
SCHEMBL13292722 0.77 KMT2A (0.68) KMT2ATDP1HTTSMN1; SMN2ELANE
SCHEMBL13135287 0.76 KMT2A (0.61) KMT2ATDP1HTTSMN1; SMN2ELANE
SCHEMBL21185911 0.76 HTT (0.61) KMT2ATDP1HTTSMN1; SMN2ELANE
SCHEMBL18087028 0.75 KMT2A (0.78) KMT2ATDP1HTTSMN1; SMN2ELANE
SCHEMBL13198427 0.73 ELANE (0.59) KMT2ATDP1HTTSMN1; SMN2ELANE
SCHEMBL366845 0.72 RAB9A (0.54) KMT2ATDP1HTTSMN1; SMN2ELANE
SCHEMBL14817286 0.72 KMT2A (0.56) KMT2ATDP1HTTSMN1; SMN2ELANE

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-10738052-B2 Imidazotriaines and imidazopyrimidines as kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-08-11 — — 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-10738052-B2 Imidazotriaines and imidazopyrimidines as kinase inhibitors MET, RET, ERBB2 KMT2A 478/4885TDP1 2474/4885HTT 3759/4885

“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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