SCHEMBL16018259

SCHEMBL16018259

Cc1cc(-c2cnc(N)cn2)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 11/20 0.38
PIK3R1 P27986 2/20 0.37
PIK3CD O00329 1/20 0.37
FEN1 P39748 8/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
RIPK1 Q13546 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
PIK3CA P42336 2/20 0.32
MTOR P42345 1/20 0.32
ATR Q13535 1/20 0.32

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
SCHEMBL14261618 0.84 DRD3 (0.41) ALOX5APPIK3CDRIPK1RIPK3DRD3
SCHEMBL14881410 0.78 RAB9A (0.45) ALOX5APFEN1
SCHEMBL14261614 0.76 PLA2G10 (0.42) ATR
SCHEMBL30269899 0.76 ATM (0.43) ALOX5APPIK3CDNOS3NOS2TLR9
SCHEMBL28884474 0.76 ATM (0.43) ALOX5APPIK3CDNOS3NOS2TLR9
SCHEMBL14261615 0.74 KDM4E (0.39) ATR
SCHEMBL12896146 0.72 ALOX5AP (0.34) ALOX5APDRD3KCNH2
SCHEMBL16487535 0.72 SMN1; SMN2 (0.42)
SCHEMBL24419725 0.71 MEN1 (0.39) ALOX5APDRD3KCNH2
SCHEMBL24419758 0.71 SLC34A1 (0.44) ALOX5APDRD3KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 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-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX5AP 796/4885PIK3R1 812/4885PIK3CD 350/4885

“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.