SCHEMBL2220958

SCHEMBL2220958

CN(C(=O)Cn1cnc2cccnc21)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TP53 P04637 1/20 0.50
PABPC1 P11940 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CXCR3 P49682 3/20 0.42
KDM4E B2RXH2 1/20 0.41
POLQ O75417 1/20 0.41

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
SCHEMBL2194087 0.87 KMT2A (0.52) KMT2AMEN1TP53PABPC1SMN1; SMN2
SCHEMBL2222060 0.84 TP53 (0.47) KMT2AMEN1TP53PABPC1SMN1; SMN2
SCHEMBL2193749 0.81 NPC1 (0.45) KMT2AMEN1TP53PABPC1ALDH1A1
SCHEMBL2194340 0.81 MEN1 (0.46) KMT2AMEN1TP53PABPC1SMN1; SMN2
SCHEMBL3585422 0.79 MEN1 (0.61) KMT2AMEN1TP53PABPC1SMN1; SMN2
SCHEMBL13571733 0.79 MEN1 (0.49) KMT2AMEN1TP53PABPC1SMN1; SMN2
SCHEMBL2192568 0.79 TP53 (0.42) KMT2AMEN1TP53PABPC1ALDH1A1
SCHEMBL2218436 0.78 MEN1 (0.44) KMT2AMEN1TP53PABPC1ALDH1A1
SCHEMBL15157728 0.78 ALDH1A1 (0.48) KMT2AMEN1TP53PABPC1SMN1; SMN2
SCHEMBL2192292 0.77 KMT2A (0.46) KMT2AMEN1TP53PABPC1CXCR3

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 KMT2A 823/4885MEN1 1121/4885TP53 4/4885

“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.