SCHEMBL25830724

SCHEMBL25830724

COc1cc(C)nc2ccc(N3CC4(CNC4)C3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40
TERT O14746 2/20 0.40
DNMT1 P26358 1/20 0.36
RAD52 P43351 1/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.35
BLM P54132 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ADRB2 P07550 1/20 0.34

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
SCHEMBL25828249 0.82 NCF1 (0.41) DOT1LMAPTALDH1A1KDM4EKMT2A
SCHEMBL24009992 0.79 ALDH1A1 (0.50) DOT1LMAPTALDH1A1KDM4EKMT2A
SCHEMBL25824152 0.79 ALDH1A1 (0.54) DOT1LMAPTALDH1A1KDM4EKMT2A
SCHEMBL25821159 0.78 DPP4 (0.34) ALDH1A1MAPK1HSD17B10ADRB2ADRB1
SCHEMBL23999730 0.76 KMT2A (0.43) DOT1LMAPTALDH1A1KDM4EKMT2A
SCHEMBL25824173 0.76 KMT2A (0.57) MAPTALDH1A1KDM4EKMT2APOLB
SCHEMBL24004017 0.74 TSHR (0.60) DOT1LMAPTALDH1A1KDM4EKMT2A
SCHEMBL23999579 0.73 TSHR (0.45) DOT1LMAPTKMT2APOLBTERT
SCHEMBL24010843 0.72 MAPT (0.53) MAPTALDH1A1KDM4EKMT2APOLB
SCHEMBL20510785 0.72 TMEM97 (0.38) TSHRCDK4CCND1CDK6

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 DOT1L 4010/4885MAPT 3999/4885ALDH1A1 4541/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA DOT1L 4382/4885MAPT 3976/4885ALDH1A1 3871/4885

“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.