SCHEMBL20427595

SCHEMBL20427595

N=Cc1cnn2c(=O)c3ccccc3[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ RNASEH1 O60930 1/20 0.40
▸ ERCC1 P07992 1/20 0.40
▸ ERCC5 P28715 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ERCC4 Q92889 1/20 0.40
▸ KDM4E B2RXH2 6/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HPGD P15428 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
SCHEMBL16046368 0.87 CYP2A6 (0.42) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL16047859 0.82 HPGD (0.46) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL16047858 0.82 HPGD (0.46) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL16046587 0.74 KDM4D (0.50) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL11545191 0.67 HAVCR2 (0.43) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL7135462 0.66 ALDH1A1 (0.51) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL13943613 0.66 ADORA3 (0.46) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL29956181 0.65 CYP1A2 (0.64) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL13759052 0.60 CYP2A6 (0.64) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL9217948 0.60 ALDH1A1 (0.62) ALDH1A1ADORA3ADORA2AADORA2BADORA1

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-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — 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-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B ALDH1A1 1424/4885ADORA3 3374/4885ADORA2A 3367/4885

“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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