SCHEMBL13078028

SCHEMBL13078028

COCCn1c(=O)c2ccccc2n(Cc2nc3cc(CN)cc4c3n2CCC4C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CACNA2D1 P54289 4/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 2/20 0.35
POLB P06746 1/20 0.35
ADORA2A P29274 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
THRB P10828 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
SCHEMBL7879899 0.74 MEN1 (0.44) MEN1KMT2ATSHRPOLB
SCHEMBL31135583 0.63 KDM4E (0.54) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL6264028 0.62 NPSR1 (0.45) ALDH1A1TSHRSMN1; SMN2POLB
SCHEMBL6247449 0.62 CYP3A4 (0.49) ALDH1A1TSHRSMN1; SMN2POLB
SCHEMBL25724068 0.61 MEN1 (0.54) MEN1KMT2AADORA3ADORA2BHDAC1
SCHEMBL24031128 0.61 HDAC1 (0.78) ALDH1A1POLBHDAC1HDAC11HDAC8
SCHEMBL6274097 0.61 CYP3A4 (0.58) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL6242827 0.61 MEN1 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2HDAC1
SCHEMBL7889268 0.61 TSHR (0.44) TSHRLMNAHTTPOLB
SCHEMBL22745712 0.60 HDAC1 (0.48) MEN1KMT2AALDH1A1HTTPOLB

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-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 MEN1 1527/4885KMT2A 4545/4885ALDH1A1 2596/4885

“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.