SCHEMBL25822189

SCHEMBL25822189

Cc1cc(Nc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)ccn1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.70
KMT2A Q03164 9/20 0.62
MEN1 O00255 8/20 0.62
MAPT P10636 4/20 0.62
POLB P06746 1/20 0.62
BLM P54132 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SETD7 Q8WTS6 1/20 0.55
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALOX5 P09917 1/20 0.54
PKM P14618 1/20 0.54
THRA P10827 1/20 0.53

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
SCHEMBL24010908 0.87 BRAF (0.61) BRAFKMT2AMEN1POLB
SCHEMBL30290852 0.87 BRAF (0.61) BRAFKMT2AMEN1POLB
SCHEMBL25821827 0.86 BRAF (0.69) BRAFKMT2AMEN1MAPTPOLB
SCHEMBL26310066 0.84 ROCK1 (0.58) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL30290919 0.83 BRAF (0.57) BRAFKMT2AMEN1MAPTPOLB
SCHEMBL24010657 0.83 BRAF (0.57) BRAFKMT2AMEN1MAPTPOLB
SCHEMBL24011296 0.82 KCNK3 (0.61) BRAFALDH1A1SMN1; SMN2
SCHEMBL24010261 0.82 KCNK3 (0.61) BRAFALDH1A1SMN1; SMN2
SCHEMBL30290838 0.82 KCNK3 (0.61) BRAFALDH1A1SMN1; SMN2
SCHEMBL30290950 0.82 KCNK3 (0.61) BRAFALDH1A1SMN1; SMN2

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA BRAF 154/4885KMT2A 4131/4885MEN1 1172/4885

“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.