SCHEMBL4113122

SCHEMBL4113122

Cc1cccc(-c2cnc(N)nc2NCCCN2CCCN2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.43
IRAK4 Q9NWZ3 11/20 0.40
ALDH1A1 P00352 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
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
DHFR P00374 1/20 0.39
IRAK1 P51617 7/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
ACP1 P24666 1/20 0.38
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4101117 0.98 IRAK4 (0.43) ADORA1IRAK4ALDH1A1MAPTKDM4E
SCHEMBL4112016 0.89 ADORA2A (0.47) ADORA1IRAK4ALDH1A1MAPTDHFR
SCHEMBL4118726 0.89 QPCT (0.41) IRAK4DHFRIRAK1FGFR1KDR
SCHEMBL4099483 0.89 DHFR (0.46) ADORA1IRAK4DHFRIRAK1FGFR1
SCHEMBL4105528 0.87 ADORA2A (0.45) ADORA1IRAK4DHFRIRAK1FGFR1
SCHEMBL4117726 0.87 DHFR (0.41) IRAK4DHFRIRAK1
SCHEMBL4099195 0.87 DHFR (0.41) IRAK4DHFRIRAK1ACP1
SCHEMBL4118613 0.87 DHFR (0.44) ADORA1IRAK4DHFRIRAK1
SCHEMBL4112712 0.87 IRAK4 (0.41) IRAK4IRAK1
SCHEMBL4110711 0.87 TLR8 (0.46) ADORA1IRAK4ALDH1A1MAPTKDM4E

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 ADORA1 303/4885IRAK4 1916/4885ALDH1A1 4216/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH ADORA1 303/4885IRAK4 1916/4885ALDH1A1 4216/4885

“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.