SCHEMBL13106903

SCHEMBL13106903

CS/C(=N\C#N)Nc1ccc(Oc2ccncc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.42
RIPK2 O43353 1/20 0.39
LMNA P02545 4/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
IL18 Q14116 1/20 0.39
MAPK13 O15264 1/20 0.39
GALR3 O60755 1/20 0.39
KDR P35968 2/20 0.38
BRAF P15056 1/20 0.38
MAPK14 Q16539 1/20 0.38
TNNI3K Q59H18 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 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
SCHEMBL161844 0.87 CYP3A4 (0.41) LMNAKMT2AMAPK1KDM4EMEN1
SCHEMBL22147348 0.87 CYP3A4 (0.41) LMNAKMT2AMAPK1KDM4EMEN1
SCHEMBL161843 0.87 CYP3A4 (0.41) LMNAKMT2AMAPK1KDM4EMEN1
SCHEMBL12329455 0.76 RAF1 (0.43) RAF1RIPK2LMNAKMT2AMAPK1
SCHEMBL13106907 0.76 RAF1 (0.44) RAF1RIPK2LMNAKMT2AMAPK1
SCHEMBL19069839 0.76 ALDH1A1 (0.41) LMNAKMT2AMAPTKDM4EMEN1
SCHEMBL162150 0.74 LMNA (0.52) LMNAKMT2AMAPK1MAPTKDM4E
SCHEMBL162151 0.74 LMNA (0.52) LMNAKMT2AMAPK1MAPTKDM4E
SCHEMBL17402949 0.74 ABCC9 (0.41) MAPTKDM4ESMN1; SMN2ALDH1A1TP53
SCHEMBL10341391 0.74 ABCC9 (0.45) LMNAKMT2AMAPK1MAPTKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816365-B2 Amine derivatives MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-7816365-B2 Amine derivatives MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20070112006-A1 Amine derivatives MERCK PATENT GMBH (DE) 2007-05-17 US disclosed
US-20070112006-A1 Amine derivatives MERCK PATENT GMBH (DE) 2007-05-17 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-20070112006-A1 Amine derivatives TIE1, FLT1, KDR RAF1 23/4885RIPK2 520/4885LMNA 2497/4885

“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.