SCHEMBL4100235

SCHEMBL4100235

Nc1ncc(-c2cccc(-c3nc4ccccc4s3)c2)c(NCCCN2CCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.50
ACP1 P24666 4/20 0.44
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
IRAK4 Q9NWZ3 6/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
THPO P40225 1/20 0.42

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
SCHEMBL4106612 0.99 ILK (0.49) ILKACP1RAB9AKDM4EALDH1A1
SCHEMBL4117371 0.93 KDR (0.50) ILKIRAK4KDRFGFR1MGLL
SCHEMBL4106379 0.92 ILK (0.44) ILKRAB9AKDM4EALDH1A1MAPT
SCHEMBL4101188 0.92 ILK (0.52) ILKACP1RAB9AKDM4EALDH1A1
SCHEMBL4115565 0.91 RAB9A (0.43) ILKRAB9AKDM4EALDH1A1MAPT
SCHEMBL4113205 0.89 ILK (0.41) ILKRAB9AKDM4EALDH1A1MAPT
SCHEMBL4113127 0.89 RAB9A (0.41) ILKRAB9AKDM4EALDH1A1MAPT
SCHEMBL4101820 0.88 ILK (0.41) ILKRAB9AKDM4EALDH1A1MAPT
SCHEMBL4113121 0.87 RAB9A (0.41) ILKRAB9AKDM4EALDH1A1MAPT
SCHEMBL4100625 0.84 NFKB1 (0.39) ILKRAB9AKDM4EALDH1A1MAPT

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 3 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
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 1640/4885ACP1 831/4885RAB9A 2610/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH ILK 1640/4885ACP1 831/4885RAB9A 2610/4885

“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.