SCHEMBL25830623

SCHEMBL25830623

CC(C)Nc1ccnc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
MAPK14 Q16539 13/20 0.39
MAPK10 P53779 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
RECQL P46063 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NTSR1 P30989 1/20 0.38
RAD52 P43351 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH3 Q9ULD8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL17108502 0.78 UHRF1 (0.46) TDP1RECQLL3MBTL1POLBGAA
SCHEMBL17469457 0.77
SCHEMBL12356608 0.76 TDP1 (0.40) TDP1RECQLL3MBTL1POLBGAA
SCHEMBL27989136 0.76 TDP1 (0.40) TDP1MAPK14RECQLL3MBTL1POLB
SCHEMBL18934403 0.76 TDP1 (0.40) TDP1RECQLL3MBTL1POLBGAA
SCHEMBL30257685 0.76 NOS3 (0.47) TDP1RECQLL3MBTL1POLBGAA
SCHEMBL12368480 0.76 SMARCA2 (0.47) TDP1LOXL2RECQLL3MBTL1POLB
SCHEMBL1097306 0.76 NOS3 (0.47) TDP1RECQLL3MBTL1POLBGAA
SCHEMBL21724896 0.76 AR (0.41) TDP1RECQLL3MBTL1POLBGAA
SCHEMBL20814469 0.76 POLB (0.60) TDP1POLBGAAKCNH3

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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 (2 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR TDP1 3836/4885MAPK14 234/4885MAPK10 57/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA TDP1 3067/4885MAPK14 274/4885MAPK10 87/4885

“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.