SCHEMBL2222060

SCHEMBL2222060

CC(C)N(C(=O)Cn1cnc2cccnc21)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PABPC1 P11940 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
APAF1 O14727 1/20 0.41
CXCR3 P49682 3/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL2220958 0.84 KMT2A (0.50) TP53MEN1KMT2APABPC1ALDH1A1
SCHEMBL14427590 0.84 APAF1 (0.56) TP53MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2194087 0.84 KMT2A (0.52) TP53MEN1KMT2APABPC1ALDH1A1
SCHEMBL2193749 0.78 NPC1 (0.45) TP53MEN1KMT2APABPC1ALDH1A1
SCHEMBL2194340 0.78 MEN1 (0.46) TP53MEN1KMT2APABPC1ALDH1A1
SCHEMBL3585422 0.76 MEN1 (0.61) TP53MEN1KMT2APABPC1SMN1; SMN2
SCHEMBL13571733 0.76 MEN1 (0.49) TP53MEN1KMT2APABPC1ALDH1A1
SCHEMBL2192568 0.76 TP53 (0.42) TP53MEN1KMT2APABPC1ALDH1A1
SCHEMBL2218436 0.75 MEN1 (0.44) TP53MEN1KMT2APABPC1ALDH1A1
SCHEMBL15157728 0.75 ALDH1A1 (0.48) TP53MEN1KMT2APABPC1ALDH1A1

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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 TP53 4/4885MEN1 1121/4885KMT2A 823/4885

“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.