SCHEMBL2194087

SCHEMBL2194087

O=C(Cn1cnc2cccnc21)N(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
PABPC1 P11940 1/20 0.52
CXCR3 P49682 5/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2194340 0.93 MEN1 (0.46) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL15157728 0.90 ALDH1A1 (0.48) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL2218436 0.90 MEN1 (0.44) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL2220958 0.87 KMT2A (0.50) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL2192292 0.86 KMT2A (0.46) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL2217138 0.86 ALDH1A1 (0.45) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL2192568 0.85 TP53 (0.42) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL2222060 0.84 TP53 (0.47) KMT2AMEN1TP53PABPC1CXCR3
Hydrochloric Acid SCHEMBL10641565 0.81 MEN1 (0.41) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL2193330 0.81 KMT2A (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO 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.