SCHEMBL798969

SCHEMBL798969

COc1ccc(-c2cc(NC(=O)Nc3ccccc3C(=O)NC(C)C)nn2C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.42
EGFR P00533 1/20 0.41
KDR P35968 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNK3 O14649 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.39
GLA P06280 1/20 0.38
GCK P35557 1/20 0.38
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL799359 0.84 ALDH1A1 (0.46) MAPK1ALDH1A1KDM4EHTTMEN1
SCHEMBL799281 0.82 KMT2A (0.49) MAPK1ALDH1A1EGFRKDRKDM4E
SCHEMBL798614 0.80 PDE4A (0.45) ALDH1A1KDM4EHTTPKM
SCHEMBL799302 0.79 RIPK1 (0.49)
SCHEMBL10264548 0.70 ALDH1A1 (0.37) MAPK1ALDH1A1KDM4EHTTMEN1
SCHEMBL798739 0.69 KDM4E (0.41) ALDH1A1KDM4EMEN1PABPC1KMT2A
SCHEMBL29614706 0.67 KDM4E (0.53) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL19307111 0.67 KDM4E (0.53) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL169977 0.66 PIK3CG (0.66) MEN1KMT2ALMNA
SCHEMBL171590 0.66 RIPK1 (0.48)

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 MAPK1 74/4885ALDH1A1 3750/4885EGFR 1344/4885

“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.