SCHEMBL3603632

SCHEMBL3603632

Cc1cc(Nc2ccnc(Nc3ccc(C(=O)N(C)C4CCCN(Cc5csnn5)C4)cc3)n2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LCK P06239 4/20 0.38
JAK3 P52333 3/20 0.38
POLB P06746 2/20 0.38
SYK P43405 1/20 0.35
ABL1 P00519 4/20 0.35
LYN P07948 3/20 0.35
BCR P11274 2/20 0.35
RIPK2 O43353 1/20 0.35
FYN P06241 1/20 0.35
RET P07949 1/20 0.35
PDGFRB P09619 1/20 0.35
ARAF P10398 1/20 0.35
BRAF P15056 1/20 0.35
NQO2 P16083 1/20 0.35
EPHA2 P29317 1/20 0.35
EPHB2 P29323 1/20 0.35
CSK P41240 1/20 0.35

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
SCHEMBL3600363 0.83 LCK (0.39) KMT2AMEN1L3MBTL1LCKJAK3
SCHEMBL14020133 0.81 CDK2 (0.37) JAK3
SCHEMBL4874632 0.80 CDK2 (0.39) L3MBTL1JAK3POLB
SCHEMBL3302436 0.80 IKBKB (0.44) KMT2AMEN1SYKAURKA
SCHEMBL3596730 0.79 IGF1R (0.49) LCKJAK3AURKAJAK1
SCHEMBL3610904 0.79 USP30 (0.46) LCKJAK3SYKMAPK14AURKA
SCHEMBL13392031 0.77 AXL (0.40) KMT2AMEN1JAK3PDGFRB
SCHEMBL3604003 0.77 PTK2 (0.49) LCKJAK3SYKAURKAJAK1
SCHEMBL13502766 0.74 KMT2A (0.47) KMT2AMEN1L3MBTL1POLB
SCHEMBL4880324 0.74 CDK2 (0.39) L3MBTL1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035907-A1 NEW 2,4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-02-11 US claimed
EP-2104673-A2 NEW 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-09-30 EP claimed
WO-2008099072-A2 NEW 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2008-08-21 WO claimed
US-20100035907-A1 NEW 2,4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
US-20100035907-A1 NEW 2,4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
EP-2104673-A2 NEW 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-09-30 EP disclosed
WO-2008099072-A2 NEW 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2008-08-21 WO 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 (1 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-20100035907-A1 NEW 2,4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS IKBKB, CDK2, IKBKE KMT2A 1528/4885MEN1 4141/4885L3MBTL1 3136/4885

“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.