SCHEMBL4081084

SCHEMBL4081084

Nc1ncc(-c2cccc(-c3ccccn3)c2)c(NCCCN2CCCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
HIF1A Q16665 1/20 0.45
ACP1 P24666 9/20 0.45
IRAK4 Q9NWZ3 2/20 0.45
CFTR P13569 1/20 0.44
CHRNA7 P36544 1/20 0.43
FGFR1 P11362 1/20 0.42
KDR P35968 1/20 0.42
S100A4 P26447 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL4106722 0.92 FGFR1 (0.52) DHFRHIF1AIRAK4CFTRFGFR1
SCHEMBL4105475 0.91 DHFR (0.44) DHFRHIF1AIRAK4CFTRFGFR1
SCHEMBL3973607 0.91 HIF1A (0.57) DHFRHIF1AACP1IRAK4
SCHEMBL4099498 0.90 DHFR (0.44) DHFRHIF1AIRAK4CFTRFGFR1
SCHEMBL3979571 0.87 DHFR (0.43) DHFRHIF1AIRAK4CFTRFGFR1
SCHEMBL4118438 0.87 IRAK4 (0.48) DHFRACP1IRAK4FGFR1KDR
SCHEMBL4085775 0.86 DHFR (0.43) DHFRHIF1AIRAK4FGFR1KDR
SCHEMBL4107725 0.85 DHFR (0.43) DHFRHIF1AIRAK4FGFR1KDR
SCHEMBL4112021 0.85 DHFR (0.46) DHFRHIF1AIRAK4
SCHEMBL4112794 0.85 ACP1 (0.52) ACP1IRAK4FGFR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 932/4885ACP1 831/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH DHFR 1013/4885HIF1A 932/4885ACP1 831/4885

“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.