SCHEMBL29317874

SCHEMBL29317874

CCc1c[nH]c2ncc(C)c(Cl)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.46
AXL P30530 1/20 0.44
PRKCI P41743 1/20 0.44
TRPA1 O75762 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP3A4 P08684 2/20 0.35
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
CDC42BPB Q9Y5S2 2/20 0.33
AKT1 P31749 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CDC42BPA Q5VT25 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
ABL1 P00519 1/20 0.32
PRMT5 O14744 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
SCHEMBL30217625 0.82 MAP4K1 (0.46) MAP4K1TRPA1IRAK4CYP1A2CYP2D6
SCHEMBL25088414 0.82 MAP4K1 (0.46) MAP4K1TRPA1IRAK4CYP1A2CYP2D6
SCHEMBL1935022 0.81 MAP4K1 (0.45) MAP4K1TRPA1IRAK4CYP1A2CYP2D6
SCHEMBL2600506 0.80 AXL (0.50) AXLPRKCITRPA1IRAK4ROCK2
SCHEMBL20758322 0.76 CHEK1 (0.51) AXLPRKCITRPA1ROCK2ROCK1
SCHEMBL20758384 0.73 AXL (0.41) MAP4K1AXLPRKCIROCK2ROCK1
SCHEMBL4780230 0.72 CHEK1 (0.56) MAP4K1TRPA1IRAK4CYP1A2CYP2D6
SCHEMBL12146877 0.72 HTR2A (0.43) MAP4K1TRPA1IRAK4CYP1A2CYP2D6
SCHEMBL16022948 0.71 MAP4K1 (0.38) MAP4K1TRPA1IRAK4CYP1A2CYP2D6
SCHEMBL2693766 0.71 LRRK2 (0.53) MAP4K1AXLPRKCITRPA1IRAK4

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-20240239794-A1 PKC-Theta Modulators EXSCIENTIA AI LIMITED (GB) 2024-07-18 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-20240239794-A1 PKC-Theta Modulators PRKCQ, PRKCH, PRKCZ MAP4K1 185/4885AXL 4666/4885PRKCI 8/4885

“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.