SCHEMBL799281

SCHEMBL799281

COc1ccc(-c2cc(NC(=O)Nc3ccccc3OCCC(C)C)nn2C)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
PABPC1 P11940 1/20 0.49
EGFR P00533 2/20 0.41
KDR P35968 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
GCK P35557 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
FGFR1 P11362 1/20 0.37
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37
POLB P06746 1/20 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
SCHEMBL798739 0.86 KDM4E (0.41) KMT2AMEN1PABPC1KDM4ESMN1; SMN2
SCHEMBL172135 0.82 MAPT (0.48) KMT2AMEN1KDM4ESMN1; SMN2MAPT
SCHEMBL798969 0.82 MAPK1 (0.43) KMT2AMEN1PABPC1EGFRKDR
SCHEMBL798680 0.80 RIPK1 (0.48) KMT2AMEN1PABPC1PIK3CAPIK3CG
SCHEMBL799159 0.77 PIK3CG (0.47) KMT2AMEN1PABPC1PIK3CAPIK3CG
SCHEMBL798733 0.75 PIK3CG (0.61) KMT2AMEN1PABPC1KDM4ESMN1; SMN2
SCHEMBL172085 0.73 ABL1 (0.49) KMT2AMEN1PABPC1EGFRKDR
SCHEMBL14517911 0.72 KDM4E (0.73) KMT2AMEN1KDRKDM4ESMN1; SMN2
SCHEMBL172136 0.72 KMT2A (0.45) KMT2AMEN1PABPC1EGFRKDR
SCHEMBL29614706 0.71 KDM4E (0.53) KMT2AMEN1KDM4ESMN1; SMN2MAPT

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 KMT2A 2921/4885MEN1 2694/4885PABPC1 3018/4885

“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.