SCHEMBL4986780

SCHEMBL4986780

CC(C)(C)CN1CCc2c(N)ncnc2C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
BRS3 P32247 1/20 0.38
LIMK1 P53667 1/20 0.38
CYP1A2 P05177 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
C5AR1 P21730 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR1 P21554 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL4989502 0.83 RAD52 (0.42) PI4KAPI4K2BPI4K2API4KBLIMK1
SCHEMBL4985387 0.81 DRD2 (0.43) LIMK1
SCHEMBL4991248 0.79 GNRHR (0.36) LIMK1SIGMAR1
SCHEMBL4982902 0.78 ADORA2A (0.40) TP53SIGMAR1
SCHEMBL4980855 0.78 LIMK1 (0.45) PI4KAPI4K2BPI4K2API4KBLIMK1
SCHEMBL4989114 0.77 COMT (0.35) LIMK1
SCHEMBL4985157 0.77 GRIA1 (0.39) LIMK1CYP3A4MEN1KMT2ASIGMAR1
SCHEMBL4988741 0.77 KDR (0.44) TP53
SCHEMBL4983874 0.77 PIK3CA (0.36) BRS3LIMK1MEN1
SCHEMBL4989371 0.75 LIMK1 (0.47) LIMK1KDM4EMEN1KMT2A

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 PI4KA 947/4885PI4K2B 1468/4885PI4K2A 1448/4885

“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.