SCHEMBL31032166

SCHEMBL31032166

NC(=O)c1cccnc1-c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
CDC7 O00311 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 2/20 0.45
BCHE P06276 1/20 0.43
CSNK1A1 P48729 1/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
GRM5 P41594 1/20 0.43
AURKA O14965 2/20 0.43
RPS6KB1 P23443 2/20 0.43

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
SCHEMBL30108279 1.00 PARP1 (0.55) PARP1CDC7KMT2AMEN1KDM4E
SCHEMBL28677807 1.00 PARP1 (0.55) PARP1CDC7KMT2AMEN1KDM4E
SCHEMBL14936823 0.86 KDM4E (0.61) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL31032078 0.85 PARP1 (0.47) PARP1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL31032125 0.83 PARP1 (0.71) PARP1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL18241111 0.83 PARP1 (0.71) PARP1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL5874039 0.80 SMN1; SMN2 (0.50) PARP1CDC7KMT2AMEN1KDM4E
SCHEMBL6616370 0.80 KDM4E (0.53) PARP1KDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL5849850 0.79 BCAT2 (0.55) PARP1CDC7KMT2AMEN1KDM4E
SCHEMBL31621277 0.79 BCAT2 (0.55) PARP1CDC7KMT2AMEN1KDM4E

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 PARP1 233/4885CDC7 86/4885KMT2A 2543/4885

“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.