SCHEMBL10246572

SCHEMBL10246572

CCCc1cc(-c2ccccc2)nn1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.55
CYP11B2 P19099 2/20 0.55
PDE10A Q9Y233 2/20 0.53
HSD11B1 P28845 1/20 0.52
KMT2A Q03164 1/20 0.43
MAPT P10636 4/20 0.43
MPO P05164 1/20 0.43
POLB P06746 1/20 0.43
CTSK P43235 1/20 0.42
RAB9A P51151 1/20 0.42
PLA2G7 Q13093 1/20 0.41
MGLL Q99685 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
TLR8 Q9NR97 1/20 0.41

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
SCHEMBL10275021 0.89 CYP11B1 (0.57) CYP11B1CYP11B2PDE10AHSD11B1KMT2A
SCHEMBL13098202 0.89 CYP11B1 (0.51) CYP11B1CYP11B2PDE10AHSD11B1MAPT
Perchlorate SCHEMBL11788583 0.81 CYP11B1 (0.46) CYP11B1CYP11B2PDE10AHSD11B1MAPT
SCHEMBL27549688 0.81 CYP11B1 (0.56) CYP11B1CYP11B2PDE10AHSD11B1KMT2A
SCHEMBL15635313 0.81 CYP11B1 (0.57) CYP11B1CYP11B2PDE10AHSD11B1KMT2A
SCHEMBL4903796 0.78 CYP11B1 (0.56) CYP11B1CYP11B2PDE10AHSD11B1KMT2A
SCHEMBL10190913 0.78 CYP11B1 (0.54) CYP11B1CYP11B2PDE10AHSD11B1KMT2A
SCHEMBL17069344 0.78 CYP11B1 (0.54) CYP11B1CYP11B2PDE10AHSD11B1KMT2A
SCHEMBL5549267 0.76 MAPT (0.44) MAPTCTSKRAB9A
SCHEMBL2050759 0.74 ALDH1A1 (0.43) PDE10AKMT2AMAPTPOLB

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-10822337-B2 TGF-β inhibitorC RIGEL PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP11B1 950/4885CYP11B2 918/4885PDE10A 1676/4885
US-10822337-B2 TGF-β inhibitorC TGFBR1, TGFBR2, TGFB1 CYP11B1 1757/4885CYP11B2 1886/4885PDE10A 1230/4885

“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.