SCHEMBL17109838

SCHEMBL17109838

CC(C)(C)c1cccc(C(=O)Nc2ccc(-c3cnco3)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.68
▸ KDM4E B2RXH2 3/20 0.68
▸ RAB9A P51151 3/20 0.68
▸ PKM P14618 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ LMNA P02545 1/20 0.68
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ IMPDH2 P12268 3/20 0.56
▸ IMPDH1 P20839 1/20 0.56
▸ NR1H4 Q96RI1 1/20 0.55
▸ MAPK1 P28482 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PTK2 Q05397 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ ROCK2 O75116 1/20 0.49
▸ TP53 P04637 1/20 0.47

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
SCHEMBL15652156 0.81 NPC1 (0.70) NPC1KDM4ERAB9APKMALDH1A1
SCHEMBL22983284 0.78 NPC1 (0.78) NPC1KDM4ERAB9APKMALDH1A1
SCHEMBL17109832 0.77 HDAC8 (0.58) NPC1KDM4ERAB9AALDH1A1LMNA
SCHEMBL21237219 0.76 HDAC8 (0.63) NPC1RAB9ALMNAHDAC8HDAC6
SCHEMBL12201888 0.76 HDAC8 (0.74) NPC1RAB9ALMNAHDAC8HDAC6
SCHEMBL10116408 0.75 NPC1 (0.65) NPC1KDM4ERAB9APKMALDH1A1
SCHEMBL8462152 0.75 HDAC6 (0.77) NPC1RAB9APKMLMNAHDAC8
SCHEMBL16881794 0.74 NPC1 (0.75) NPC1RAB9AALDH1A1LMNAHDAC8
SCHEMBL12245394 0.74 MEN1 (0.58) PKMLMNAIMPDH2IMPDH1MEN1
SCHEMBL14082980 0.74 NPC1 (0.70) NPC1KDM4ERAB9APKMALDH1A1

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 4 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-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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — 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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK NPC1 4727/4885KDM4E 1409/4885RAB9A 944/4885

“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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