SCHEMBL798742

SCHEMBL798742

CCNC(=O)c1ccncc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.42
KDM6B O15054 3/20 0.42
KDM5A P29375 1/20 0.42
ACVR1B P36896 2/20 0.41
TGFBR1 P36897 2/20 0.41
GAA P10253 2/20 0.40
HSP90AA1 P07900 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PIM1 P11309 1/20 0.38
BAD Q92934 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 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
SCHEMBL172133 0.88 RAB9A (0.44) KDM4CKDM6BKDM5AGAACA1
SCHEMBL14743451 0.84 KDM4E (0.46) KDM4CKDM6BGAASMN1; SMN2ALDH1A1
SCHEMBL13086655 0.82 KDM4C (0.45) KDM4CKDM6BKDM5AGAASMN1; SMN2
SCHEMBL17439049 0.79 KDM5A (0.48) KDM4CKDM6BKDM5AGAACA1
SCHEMBL15614407 0.78 KMT2A (0.50) CA1CA9LMNAKMT2A
SCHEMBL12516911 0.78 KDM4C (0.53) KDM4CKDM6BKDM5AGAACA1
SCHEMBL4673791 0.78 KDM4E (0.58) KDM4CKDM6BKDM5AGAACA1
SCHEMBL17438513 0.78 KDM5A (0.47) KDM4CKDM6BKDM5AGAACA1
SCHEMBL17465921 0.76 KDM4C (0.53) KDM4CKDM6BTGFBR1GAAALDH1A1
SCHEMBL14084348 0.76 KDM4C (0.41) KDM4CKDM6BGAASMN1; SMN2ALDH1A1

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-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 KDM4C 3079/4885KDM6B 2058/4885KDM5A 2898/4885

“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.