SCHEMBL3306885

SCHEMBL3306885

COc1ccccc1CNC1CCN(S(=O)(=O)c2ccc(Nc3nccc(Nc4ccc(F)cc4)n3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 3/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
IKBKB O14920 2/20 0.42
CHUK O15111 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
AURKA O14965 2/20 0.41
FAM20C Q8IXL6 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
SCHEMBL3296543 0.90 RAB9A (0.46) KMT2AMEN1LMNANPC1MAPT
SCHEMBL3299783 0.89 MAPT (0.43) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL3301230 0.88 RAB9A (0.45) KMT2AMEN1LMNANPC1MAPT
SCHEMBL3298361 0.87 RAB9A (0.47) KMT2AMEN1LMNANPC1MAPT
SCHEMBL3304646 0.87 MAPT (0.42) KMT2AMEN1LMNANPC1MAPT
SCHEMBL3305293 0.86 IKBKB (0.51) KMT2AMEN1LMNANPC1MAPT
SCHEMBL3296619 0.86 RAB9A (0.43) KMT2AMEN1LMNANPC1MAPT
SCHEMBL3302472 0.86 MEN1 (0.45) KMT2AMEN1LMNANPC1MAPT
SCHEMBL3298134 0.86 MAPT (0.47) KMT2AMEN1LMNANPC1MAPT
SCHEMBL3299350 0.86 MAPT (0.41) KMT2AMEN1LMNANPC1MAPT

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
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
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

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 KMT2A 2104/4885MEN1 3381/4885LMNA 1756/4885

“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.