SCHEMBL4304683

SCHEMBL4304683

COc1ccc(Nc2cc(C(C)(C)C)n[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ GAA P10253 4/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ GSK3A P49840 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ POLB P06746 2/20 0.43

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
SCHEMBL5207242 0.84 NPC1 (0.43) MAPTRAB9AGAANPC1L3MBTL1
Hydrochloric Acid SCHEMBL1492472 0.83 NPC1 (0.42) MAPTRAB9AGAANPC1L3MBTL1
SCHEMBL20605572 0.77 POLB (0.61) MAPTKDM4EMAPK1TDP1L3MBTL1
SCHEMBL10220242 0.73 RAB9A (0.63) MAPTRAB9AGAANPC1KDM4E
SCHEMBL4430780 0.69 MAPT (0.55) MAPTRAB9AGAANPC1KDM4E
SCHEMBL13045903 0.69 HPGD (0.46) MAPT
SCHEMBL668648 0.68 MAPK14 (0.61) —
SCHEMBL39057 0.68 MAPT (1.00) MAPTRAB9AGAANPC1KDM4E
SCHEMBL1459772 0.68 MAPT (1.00) MAPTRAB9AGAANPC1KDM4E
SCHEMBL5608912 0.68 MAPT (0.71) MAPTRAB9AGAANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131437-A1 DISUBSTITUTED UREAS AS KINASE INHIBITORS CORIUM INTERNATIONAL, INC. (US) 2009-05-21 — — US disclosed
EP-1838700-A2 DISUBSTITUTED UREAS AS KINASE INHIBITORS Novartis AG (CH) 2007-10-03 — — EP disclosed
WO-2006072589-A2 DISUBSTITUTED UREAS AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-07-13 — — 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-20090131437-A1 DISUBSTITUTED UREAS AS KINASE INHIBITORS UCK2, ULK2, MAP3K1 MAPT 527/4885RAB9A 1554/4885GAA 1410/4885

“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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