SCHEMBL24154751

SCHEMBL24154751

COc1ccccc1Nc1nc(-c2ccccc2)ccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 5/20 0.56
TDP1 Q9NUW8 2/20 0.56
GAA P10253 2/20 0.56
CASP3 P42574 1/20 0.56
CASP7 P55210 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
ABL1 P00519 1/20 0.50
YES1 P07947 1/20 0.50
LMNA P02545 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK8 P45983 1/20 0.44
PIK3CG P48736 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL30319960 1.00 KMT2A (0.56) KMT2AALDH1A1MEN1TDP1GAA
SCHEMBL30319997 0.80 KMT2A (0.54) KMT2AALDH1A1MEN1TDP1GAA
SCHEMBL24155093 0.80 KMT2A (0.54) KMT2AALDH1A1MEN1TDP1GAA
SCHEMBL5336795 0.76 KDM4E (0.52) KMT2AALDH1A1MEN1TDP1GAA
SCHEMBL27241714 0.75 MAPT (0.51) KMT2AALDH1A1MEN1TDP1GAA
SCHEMBL5338895 0.74 NLRP3 (0.51) KMT2AALDH1A1MEN1TDP1GAA
SCHEMBL8024061 0.70 MAPT (0.76) KMT2AALDH1A1MEN1TDP1GAA
SCHEMBL481932 0.69 MAPT (0.47) KMT2AALDH1A1MEN1TDP1NPSR1
SCHEMBL31350510 0.68 KDM4E (0.65) KMT2AALDH1A1MEN1TDP1GAA
SCHEMBL3406539 0.68 ALOX5 (0.81) KMT2AALDH1A1MEN1TDP1GAA

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-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-20 US disclosed
US-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-07-20 US disclosed
WO-2021259815-A1 AMIDOPYRIMIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-30 WO 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-20230227449-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 KMT2A 4327/4885ALDH1A1 1558/4885MEN1 636/4885

“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.