SCHEMBL3301899

SCHEMBL3301899

CNC1CCN(C(=O)c2ccc(Nc3nccc(Nc4ccc(F)cc4)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.54
CCNE1 P24864 5/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
CDK1 P06493 3/20 0.53
AURKA O14965 3/20 0.50
PTK2 Q05397 2/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
CCND3 P30281 1/20 0.50
CDK7 P50613 1/20 0.50
CCNH P51946 1/20 0.50
MNAT1 P51948 1/20 0.50
CDK6 Q00534 1/20 0.50

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
SCHEMBL3302571 0.89 AURKA (0.51) CDK2CDK1AURKAPTK2AURKB
SCHEMBL3302490 0.89 CDK2 (0.53) CDK2CCNE1MEN1KMT2ACDK1
SCHEMBL3304457 0.89 CDK2 (0.54) CDK2CCNE1MEN1NPC1LMNA
SCHEMBL14095887 0.85 GRM5 (0.66) CDK2CCNE1MEN1NPC1LMNA
SCHEMBL3299161 0.84 CDK2 (0.47) CDK2CCNE1MEN1NPC1LMNA
SCHEMBL3300384 0.83 MAPT (0.50) CDK2CCNE1MEN1NPC1LMNA
SCHEMBL3298028 0.83 MAPT (0.50) CDK2CCNE1MEN1NPC1LMNA
SCHEMBL3298031 0.83 MAPT (0.50) CDK2CCNE1MEN1NPC1LMNA
SCHEMBL27786699 0.83 CDK2 (0.49) CDK2CCNE1MEN1NPC1LMNA
SCHEMBL13844951 0.82 AURKA (0.49) CDK2CCNE1MEN1NPC1LMNA

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-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 180/4885MEN1 3381/4885

“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.