SCHEMBL10072495

SCHEMBL10072495

Ic1cccnc1N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.37
PLAU P00749 3/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDR P35968 1/20 0.34
TBXA2R P21731 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
KDM6B O15054 1/20 0.33
TET3 O43151 1/20 0.33
KDM4A O75164 1/20 0.33

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
SCHEMBL2653303 0.80 KMT2A (0.40) AGTR1PLAUESR1ESR2KMT2A
SCHEMBL699210 0.80 AGTR1 (0.43) AGTR1PLAUESR1ESR2KMT2A
SCHEMBL15881435 0.77 KMT2A (0.35) AGTR1PLAUESR1ESR2KMT2A
SCHEMBL29142169 0.76 TRIM24 (0.43) AGTR1PLAUKMT2AMEN1TDP1
SCHEMBL29791320 0.76 PLAU (0.37) AGTR1PLAUESR1ESR2TDP1
SCHEMBL30949901 0.76 MAPT (0.37) AGTR1PLAUKMT2AMEN1HPGD
SCHEMBL30949909 0.76 MAPT (0.37) AGTR1PLAUKMT2AMEN1HPGD
SCHEMBL30950066 0.74 PLAU (0.35) AGTR1PLAUESR1ESR2KMT2A
SCHEMBL30949970 0.73 TBXA2R (0.35) AGTR1PLAUESR1ESR2KMT2A
SCHEMBL15188908 0.72 GAA (0.46) ESR1ESR2KMT2AMEN1HPGD

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-8258118-B2 4-pyridinone compounds and their use for cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-04 US disclosed
US-8124768-B2 4-pyridinone compounds and their use for cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 US disclosed
US-20110034416-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER BRISTOL-MYERS SQUIBB COMPANY 2011-02-10 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-20110034416-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER DPYD, CDK4, G6PD AGTR1 1504/4885PLAU 1675/4885ESR1 3400/4885

“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.