SCHEMBL4100237

SCHEMBL4100237

Nc1ncc(-c2cccc(Cl)c2)c(NCC2CNCCO2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 6/20 0.57
▸ IRAK4 Q9NWZ3 2/20 0.56
▸ DHFR P00374 1/20 0.46
▸ KCNH2 Q12809 5/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SYK P43405 6/20 0.42
▸ AURKB Q96GD4 3/20 0.42
▸ JAK1 P23458 1/20 0.41
▸ ZAP70 P43403 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ KDR P35968 3/20 0.41
▸ STK4 Q13043 1/20 0.41
▸ STK3 Q13188 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
Trifluoroacetic Acid SCHEMBL4112159 0.92 CHEK1 (0.50) CHEK1IRAK4DHFRKCNH2ADORA2A
SCHEMBL4100546 0.82 IRAK4 (0.55) CHEK1IRAK4DHFRKCNH2ADORA2A
SCHEMBL4108003 0.81 STK4 (0.53) IRAK4DHFRADORA2AADORA1STK4
SCHEMBL3973670 0.77 DHFR (0.48) CHEK1IRAK4DHFRKCNH2ADORA2A
SCHEMBL30085582 0.75 IRAK4 (0.58) CHEK1IRAK4KCNH2SYKAURKB
SCHEMBL5654259 0.73 STK4 (0.49) IRAK4DHFRADORA2AADORA1AURKB
Hydrochloric Acid SCHEMBL28067024 0.73 L3MBTL1 (0.45) MEN1MAPTMAPK1KMT2ABTK
SCHEMBL14556155 0.73 DHFR (0.48) IRAK4DHFRADORA2AADORA1STK4
SCHEMBL14556190 0.73 DHFR (0.48) IRAK4DHFRADORA2AADORA1STK4
SCHEMBL5656962 0.73 DHFR (0.48) IRAK4DHFRADORA2AADORA1STK4

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 CHEK1 1015/4885IRAK4 1916/4885DHFR 1013/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH CHEK1 1015/4885IRAK4 1916/4885DHFR 1013/4885

“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.

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