SCHEMBL17094871

SCHEMBL17094871

COc1cc(Cn2cc(C=O)cn2)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KLKB1 P03952 3/20 0.43
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
TAS2R8 Q9NYW2 3/20 0.39
HDAC1 Q13547 2/20 0.39

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
SCHEMBL4771344 0.86 MEN1 (0.66) MEN1KMT2AKLKB1TUBB4ATUBB
SCHEMBL17094867 0.85 L3MBTL1 (0.50) MEN1KMT2AKLKB1L3MBTL1ALDH1A1
SCHEMBL4769322 0.74 SMN1; SMN2 (0.51) KMT2AKLKB1L3MBTL1ALDH1A1CYP2A6
SCHEMBL5778472 0.74 MEN1 (0.50) MEN1KMT2AKLKB1TAS2R8ALDH1A1
SCHEMBL1244985 0.73 L3MBTL1 (0.57) L3MBTL1ALDH1A1HDAC3HDAC2HDAC8
SCHEMBL13372710 0.73 LOXL2 (0.32) ALDH1A1CYP2A6
SCHEMBL18586165 0.72 VDR (0.48) MEN1KMT2AKLKB1HDAC1
SCHEMBL15653299 0.72 ALDH1A1 (0.53) MEN1KMT2ATAS2R8L3MBTL1ALDH1A1
SCHEMBL17591714 0.72 HSD17B10 (0.49) MEN1KMT2AL3MBTL1ALDH1A1HDAC2
SCHEMBL15653778 0.71 CD74 (0.54) TAS2R8L3MBTL1

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-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150080426-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 AUSPEX PHARMACEUTICALS, INC. 2015-03-19 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 (2 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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK MEN1 1218/4885KMT2A 1345/4885KLKB1 1239/4885
US-20150080426-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 SLC18A2, ACAT2, SLC6A2 MEN1 3360/4885KMT2A 171/4885KLKB1 3789/4885

“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.