SCHEMBL17040291

SCHEMBL17040291

CCc1cccc2c1nc(C(C)=C(C)C)n2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
CXCR3 P49682 3/20 0.36
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
DAO P14920 1/20 0.35
NPEPPS P55786 1/20 0.35
POLB P06746 2/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
PARP1 P09874 1/20 0.32
BRSK1 Q8TDC3 1/20 0.32
AURKB Q96GD4 1/20 0.32
CLK2 P49760 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL17033307 0.80 TLR8 (0.39) TLR8CXCR3PARP1MEN1KMT2A
SCHEMBL17050167 0.78 FBP1 (0.44) TLR8PARP1KDM4E
SCHEMBL20992183 0.78 CXCR3 (0.31) CXCR3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17031843 0.76 CA2 (0.35) GABRA1GABRB2ALDH1A1
Ammonia Solution, Strong SCHEMBL4555054 0.74 TLR8 (0.49) TLR8GABRA1GABRB2DAONPEPPS
SCHEMBL21555488 0.74 TLR8 (0.64) TLR8NPEPPSPOLBCLK4
Formamide SCHEMBL5260604 0.69 TLR8 (0.47) TLR8DAONPEPPSPARP1MEN1
SCHEMBL7981680 0.67 TLR8 (0.41) TLR8CXCR3DAOPOLBDYRK1A
SCHEMBL28878229 0.65 TLR8 (0.46) TLR8GABRA1GABRB2DAOPOLB
SCHEMBL12831958 0.65 POLB (0.45) TLR8GABRA1GABRB2DAOPOLB

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-9796741-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 TLR8 861/4885CXCR3 2217/4885GABRA1 3733/4885

“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.