SCHEMBL4101188

SCHEMBL4101188

Nc1ncc(-c2cccc(-c3nc4ccccc4s3)c2)c(NCCCN2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.52
IRAK4 Q9NWZ3 4/20 0.52
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ACP1 P24666 2/20 0.47
PIK3CG P48736 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
IRAK1 P51617 1/20 0.46
LMNA P02545 4/20 0.44
CASR P41180 1/20 0.44
HIF1A Q16665 2/20 0.43

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
SCHEMBL4100235 0.92 ILK (0.50) ILKIRAK4TP53TSHRMAPK1
SCHEMBL4106612 0.92 ILK (0.49) ILKIRAK4TP53TSHRMAPK1
SCHEMBL4117371 0.91 KDR (0.50) ILKIRAK4MGLL
SCHEMBL4106379 0.90 ILK (0.44) ILKIRAK4KDM4EKMT2AMEN1
SCHEMBL4115565 0.89 RAB9A (0.43) ILKIRAK4TP53SMN1; SMN2KDM4E
SCHEMBL4113205 0.87 ILK (0.41) ILKIRAK4SMN1; SMN2KDM4EKMT2A
SCHEMBL4113127 0.87 RAB9A (0.41) ILKIRAK4TP53SMN1; SMN2KDM4E
SCHEMBL4100258 0.86 IRAK4 (0.62) IRAK4TP53ALOX15TSHRMAPK1
SCHEMBL4113121 0.85 RAB9A (0.41) ILKIRAK4TP53TSHRMAPK1
SCHEMBL4101820 0.84 ILK (0.41) ILKIRAK4TSHRMAPK1SMN1; SMN2

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-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US claimed
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 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 (2 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-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines PRKCA, PRKCG, PRKCH ILK 1640/4885IRAK4 1916/4885TP53 3067/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH ILK 1640/4885IRAK4 1916/4885TP53 3067/4885

“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.