SCHEMBL17536014

SCHEMBL17536014

COc1ccccc1NNc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.47
GAA P10253 5/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 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
SCHEMBL7626397 0.86 ALDH1A1 (0.50) MAPTALDH1A1MAPK1L3MBTL1HPGD
SCHEMBL6889991 0.85 MAPT (0.59) MAPTALDH1A1MAPK1L3MBTL1GAA
SCHEMBL1639354 0.84 CA1 (0.60) MAPTALDH1A1MAPK1L3MBTL1HPGD
SCHEMBL10480096 0.83 MAPT (0.71) MAPTALDH1A1MAPK1L3MBTL1HPGD
SCHEMBL18591942 0.81 ACHE (0.50) MAPTALDH1A1MAPK1L3MBTL1HPGD
SCHEMBL18590720 0.81 ACHE (0.50) MAPTALDH1A1MAPK1L3MBTL1HPGD
SCHEMBL18590732 0.79 ACHE (0.52) MAPTALDH1A1MAPK1L3MBTL1HPGD
SCHEMBL6768181 0.76 GAA (0.48) MAPTALDH1A1MAPK1L3MBTL1HPGD
SCHEMBL8186595 0.76 LMNA (0.52) MAPTALDH1A1MAPK1L3MBTL1HPGD
SCHEMBL25517519 0.75 HPGD (0.63) MAPTALDH1A1HPGDGAASMN1; SMN2

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-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 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-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B MAPT 2234/4885ALDH1A1 1424/4885MAPK1 3241/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B MAPT 2234/4885ALDH1A1 1424/4885MAPK1 3241/4885

“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.