SCHEMBL798614

SCHEMBL798614

CC(=O)c1cccc(-c2cc(NC(=O)Nc3ccccc3C(=O)NC(C)C)nn2C)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.45
KCNH2 Q12809 2/20 0.45
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.40
CYP3A4 P08684 3/20 0.38
ROCK2 O75116 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.37
FYN P06241 2/20 0.37

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
SCHEMBL172135 0.80 MAPT (0.48) ALDH1A1KDM4EPOLBMAPTFYN
SCHEMBL799359 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHTTPKMCYP3A4
SCHEMBL798969 0.80 MAPK1 (0.43) ALDH1A1KDM4EHTTPKM
SCHEMBL799139 0.68 RIPK1 (0.48) KDM4EHTT
SCHEMBL799080 0.67 PIK3CD (0.46) KCNH2KDM4EHTT
SCHEMBL18181910 0.66 ALDH1A1 (0.64) ALDH1A1KDM4EHTTPKMCYP3A4
SCHEMBL798894 0.66 FYN (0.52) FYN
SCHEMBL20086444 0.65 KDM4E (0.69) ALDH1A1KDM4EHTTPKMCYP3A4
SCHEMBL16088702 0.65 KMT2A (0.71) ALDH1A1KDM4EHTTPKMNR1H4
SCHEMBL13753397 0.63 NPSR1 (0.61) ALDH1A1CYP3A4ROCK2CYP3A5POLB

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 PDE4A 922/4885KCNH2 4592/4885ALDH1A1 3750/4885

“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.