SCHEMBL26322770

SCHEMBL26322770

Cc1cc(Nc2ccnc(NC(=O)c3ccc(N)cn3)c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ SMARCA2 P51531 1/20 0.45
▸ SMARCA4 P51532 1/20 0.45
▸ SORT1 Q99523 2/20 0.43
▸ TYK2 P29597 2/20 0.41
▸ ACVRL1 P37023 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GRM5 P41594 2/20 0.39
▸ ATR Q13535 1/20 0.39

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
SCHEMBL26322741 0.85 POLB (0.53) HDAC3HDAC1HDAC2HDAC6SMARCA2
SCHEMBL24003988 0.79 MAPK8 (0.46) MAPK8MAPK10HDAC3HDAC1HDAC2
SCHEMBL24010909 0.79 BRAF (0.53) HDAC3HDAC1HDAC2HDAC6TYK2
SCHEMBL24003991 0.78 MAPK8 (0.43) MAPK8MAPK10HDAC3HDAC1HDAC2
SCHEMBL23999498 0.77 MAPT (0.51) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL23999527 0.74 POLB (0.68) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL30354768 0.74 NPC1 (0.48) MAPK8MAPK10KMT2AGRM5
SCHEMBL25432810 0.74 NPC1 (0.48) MAPK8MAPK10KMT2AGRM5
SCHEMBL22793721 0.73 POLB (0.67) TYK2JAK2JAK1KMT2A
SCHEMBL23999529 0.73 RAD52 (0.57) HDAC3HDAC1HDAC2HDAC6SMARCA2

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 — — 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR MAPK8 134/4885MAPK10 60/4885HDAC3 138/4885

“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.

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