SCHEMBL3595067

SCHEMBL3595067

CN1CCC(N(CCN2CCCC2)C(=O)c2ccc(Nc3nccc(Nc4ccc(C(F)(F)F)cc4)n3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.47
IGF1R P08069 8/20 0.46
MAPK8 P45983 1/20 0.45
AURKB Q96GD4 1/20 0.41
LCK P06239 2/20 0.41
JAK3 P52333 1/20 0.41
EIF2AK2 P19525 1/20 0.41
SYK P43405 1/20 0.41
BMX P51813 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL3602499 0.85 IGF1R (0.51) AURKAIGF1RMAPK8LCKJAK3
SCHEMBL4623410 0.74 MAPT (0.46) AURKAIGF1RJAK3JAK2EGFR
SCHEMBL3602100 0.73 AURKA (0.51) AURKAIGF1RMAPK8AURKBLCK
SCHEMBL3300933 0.73 AURKA (0.80) AURKAMAPK8AURKB
SCHEMBL3596730 0.72 IGF1R (0.49) AURKAIGF1RLCKJAK3JAK2
SCHEMBL3302571 0.71 AURKA (0.51) AURKAIGF1RMAPK8AURKBLCK
SCHEMBL14096598 0.71 HTR2A (0.47)
SCHEMBL4622912 0.71 JAK2 (0.45) IGF1RJAK3JAK2EGFR
SCHEMBL3303484 0.70 AURKA (0.64) AURKAMAPK8AURKB
SCHEMBL27786687 0.70 DHFR (0.46) AURKAIGF1RMAPK8AURKBLCK

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 8 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
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 AURKA 494/4885IGF1R 1100/4885MAPK8 194/4885

“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.