SCHEMBL4107698

SCHEMBL4107698

Nc1ncc(-c2cccc(Cl)c2)c(NCCCN2CCNC2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
KDR P35968 2/20 0.44
ADORA1 P30542 3/20 0.43
ADORA2A P29274 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
IRAK4 Q9NWZ3 3/20 0.41
STK4 Q13043 1/20 0.40
STK3 Q13188 1/20 0.40
LRRK2 Q5S007 1/20 0.40
FGFR1 P11362 2/20 0.38
IRAK1 P51617 2/20 0.38
TP53 P04637 1/20 0.37
PIK3CG P48736 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
ACP1 P24666 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
PTPN11 Q06124 1/20 0.37

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
SCHEMBL4121407 0.98 DHFR (0.44) DHFRKDRADORA1ADORA2ASMN1; SMN2
SCHEMBL4113403 0.93 KDR (0.48) DHFRKDRADORA1ADORA2ASMN1; SMN2
SCHEMBL4112412 0.89 ADORA1 (0.43) KDRADORA1IRAK4FGFR1IRAK1
SCHEMBL4113092 0.89 QPCT (0.41) DHFRKDRIRAK4FGFR1IRAK1
SCHEMBL4118866 0.87 DHFR (0.50) DHFRKDRADORA1ADORA2ASMN1; SMN2
SCHEMBL4108294 0.87 CYP1A2 (0.48) DHFRKDRADORA1ADORA2AIRAK4
SCHEMBL4100417 0.87 IRAK4 (0.45) KDRADORA1IRAK4FGFR1IRAK1
SCHEMBL4109688 0.87 IRAK4 (0.43) DHFRKDRIRAK4FGFR1IRAK1
SCHEMBL4106533 0.87 IRAK4 (0.43) DHFRKDRIRAK4FGFR1IRAK1
SCHEMBL4087800 0.86 ADORA2A (0.46) DHFRKDRADORA1ADORA2AIRAK4

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 DHFR 1013/4885KDR 2801/4885ADORA1 303/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH DHFR 1013/4885KDR 2801/4885ADORA1 303/4885

“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.