SCHEMBL3299161

SCHEMBL3299161

CC(NC1CCN(C(=O)c2ccc(Nc3nccc(Nc4ccc(F)cc4)n3)cc2)CC1)c1ncco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.47
CCNE1 P24864 5/20 0.47
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
CDK1 P06493 4/20 0.45
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCND3 P30281 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK6 Q00534 1/20 0.44
IDH1 O75874 1/20 0.43
PLK4 O00444 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
SCHEMBL3304694 0.90 CDK2 (0.44) CDK2CCNE1MAPTMEN1NPC1
SCHEMBL3301899 0.84 CDK2 (0.54) CDK2CCNE1MAPTMEN1NPC1
SCHEMBL3299163 0.79 IKBKB (0.46) CDK2CCNE1MAPTMEN1NPC1
SCHEMBL13844951 0.79 AURKA (0.49) CDK2CCNE1MAPTMEN1NPC1
SCHEMBL3301247 0.79 CDK2 (0.47) CDK2CCNE1CDK1AURKAPTK2
SCHEMBL3301332 0.78 CDK2 (0.48) CDK2CCNE1CDK1AURKAPTK2
SCHEMBL3299169 0.78 CDK2 (0.46) CDK2CCNE1MAPTMEN1NPC1
SCHEMBL3299100 0.78 CDK1 (0.47) CDK2MEN1KMT2ACDK1AURKA
SCHEMBL14095887 0.78 GRM5 (0.66) CDK2CCNE1MAPTMEN1NPC1
SCHEMBL3985132 0.78 CDK1 (0.41) CDK2CCNE1MAPTMEN1NPC1

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-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US claimed
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-04-15 US disclosed
EP-2118092-A1 NEW N, N'- 2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-11-18 EP disclosed
WO-2008099073-A1 N, N' -2, 4-DIANILINOPYRIMIDINES PREPARATION AND USE THEREOF AS IKK INHIBITORS PREPARATION AND TEH PHARMACUETICAL COMPOSITIONS THEREOF 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-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS CHUK, IKBKB, IKBKE CDK2 8/4885CCNE1 180/4885MAPT 3372/4885

“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.