SCHEMBL25828249

SCHEMBL25828249

COc1ccnc2ccc(N3CC4(CNC4)C3)cc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.41
DOT1L Q8TEK3 1/20 0.40
ACVR1 Q04771 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
NTRK1 P04629 1/20 0.35
CSF1R P07333 1/20 0.35
NTRK2 Q16620 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
SCHEMBL23999423 0.89 IP6K1 (0.34) NCF1ACVR1MEN1KMT2AGAA
SCHEMBL25826720 0.88 IRAK4 (0.38)
SCHEMBL26311818 0.86 DOT1L (0.41) NCF1DOT1LACVR1KDM4EMEN1
SCHEMBL26311820 0.85 GAK (0.40) NCF1DOT1LACVR1MEN1ALDH1A1
SCHEMBL24006254 0.83 MET (0.43) NCF1DOT1LMEN1ALDH1A1KMT2A
SCHEMBL25830724 0.82 DOT1L (0.41) NCF1DOT1LACVR1KDM4EMEN1
SCHEMBL26318323 0.82 DOT1L (0.41) NCF1DOT1LACVR1MEN1ALDH1A1
SCHEMBL26317874 0.81 DOT1L (0.41) NCF1DOT1LMEN1ALDH1A1KMT2A
SCHEMBL25828395 0.80 NCF1 (0.60) NCF1ACVR1ALDH1A1
SCHEMBL25820122 0.78 HRH4 (0.33) NCF1KDM4EMEN1ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
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 (3 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 NCF1 1209/4885DOT1L 3878/4885ACVR1 1736/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NCF1 1223/4885DOT1L 4010/4885ACVR1 1635/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NCF1 1002/4885DOT1L 4382/4885ACVR1 1556/4885

“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.