SCHEMBL3979571

SCHEMBL3979571

Nc1ncc(-c2cccc(-c3ccccn3)c2)c(NCCCN2CCNC2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
HIF1A Q16665 1/20 0.41
IRAK4 Q9NWZ3 8/20 0.41
FLT3 P36888 3/20 0.40
TYRO3 Q06418 3/20 0.40
MERTK Q12866 3/20 0.40
GAS6 Q14393 3/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
METAP1 P53582 1/20 0.37
AXL P30530 2/20 0.37
IRAK1 P51617 6/20 0.37
CFTR P13569 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
SCHEMBL4105475 0.95 DHFR (0.44) DHFRHIF1AIRAK4FLT3TYRO3
SCHEMBL4106533 0.88 IRAK4 (0.43) DHFRIRAK4FGFR1KDRIRAK1
SCHEMBL4081084 0.87 DHFR (0.46) DHFRHIF1AIRAK4FGFR1KDR
SCHEMBL4106722 0.86 FGFR1 (0.52) DHFRHIF1AIRAK4FGFR1KDR
SCHEMBL4099498 0.86 DHFR (0.44) DHFRHIF1AIRAK4FLT3TYRO3
SCHEMBL4107725 0.86 DHFR (0.43) DHFRHIF1AIRAK4FLT3TYRO3
SCHEMBL3973607 0.86 HIF1A (0.57) DHFRHIF1AIRAK4IRAK1
SCHEMBL4109688 0.86 IRAK4 (0.43) DHFRIRAK4FGFR1KDRIRAK1
SCHEMBL4100417 0.86 IRAK4 (0.45) IRAK4FGFR1KDRIRAK1
SCHEMBL4121407 0.86 DHFR (0.44) DHFRIRAK4KDRIRAK1

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 6 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
EP-2054392-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA Boehringer Ingelheim International GmbH (DE) 2009-05-06 EP disclosed
WO-2007146981-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO 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 1013/4885HIF1A 932/4885IRAK4 1916/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH DHFR 1013/4885HIF1A 932/4885IRAK4 1916/4885

“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.