SCHEMBL31031998

SCHEMBL31031998

COc1cccc(F)c1-c1cc2nccn2cc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.67
DHODH Q02127 2/20 0.42
ENPP1 P22413 4/20 0.40
CTSA P10619 3/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
MAP4K1 Q92918 2/20 0.36
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
PLK4 O00444 1/20 0.36
PDPK1 O15530 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
NTRK1 P04629 1/20 0.36
GNAI2 P04899 1/20 0.36
LCK P06239 1/20 0.36
RET P07949 1/20 0.36
HCK P08631 1/20 0.36
ROS1 P08922 1/20 0.36
FGFR1 P11362 1/20 0.36

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
SCHEMBL31032086 0.90 POLQ (0.68) POLQDHODHENPP1GPBAR1LRRK2
SCHEMBL22717543 0.83 POLQ (0.47) POLQDHODH
SCHEMBL30017361 0.82 POLQ (0.47) POLQDHODHCTSAGPBAR1MAP4K1
SCHEMBL24770176 0.82 POLQ (0.47) POLQDHODHCTSAGPBAR1MAP4K1
SCHEMBL24769156 0.81 POLQ (1.00) POLQ
SCHEMBL24500936 0.78 POLQ (0.44) POLQDHODHCTSAGPBAR1MAP4K1
SCHEMBL29694869 0.78 POLQ (0.44) POLQDHODHCTSAGPBAR1MAP4K1
SCHEMBL29229549 0.77 POLQ (0.41) POLQLCK
SCHEMBL25261705 0.76 AXL (0.44) POLQDHODH
SCHEMBL24501039 0.75 POLQ (0.61) POLQDHODHCTSAGPBAR1

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-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) 2024-08-29 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-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS POLQ, POLK, POLB POLQ 1/4885DHODH 210/4885ENPP1 333/4885

“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.