SCHEMBL3301688

SCHEMBL3301688

FC(F)(F)c1ccc(Nc2ccnc(Cl)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.48
MAPK8 P45983 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
KCNH2 Q12809 2/20 0.45
SCN9A Q15858 2/20 0.45
DHODH Q02127 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3302653 0.81 LMNA (0.67) AURKAMAPK8MEN1KMT2ANPC1
SCHEMBL4767203 0.81 NPC1 (0.46) AURKAMEN1KMT2ANPC1LMNA
SCHEMBL26497636 0.81 DHODH (0.51) AURKAMAPK8ABL1BCRMEN1
SCHEMBL16205251 0.79 SYK (0.48) AURKAMAPK1SYK
SCHEMBL15522254 0.79 RAPGEF4 (0.49) AURKAMEN1KMT2AMAPTDHODH
SCHEMBL20618595 0.79 ROCK2 (0.46) AURKAMEN1KMT2ANPC1LMNA
SCHEMBL5443900 0.78 SCN9A (0.51) AURKAMEN1KMT2ANPC1LMNA
SCHEMBL5394104 0.78 EPHB4 (0.45) AURKAMEN1KMT2ANPC1LMNA
SCHEMBL5263722 0.78 PIK3CA (0.48) AURKAMEN1KMT2ANPC1LMNA
SCHEMBL5397901 0.78 CDK2 (0.47) AURKAMAPK8MEN1KMT2A

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-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-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-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
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-2009056693-A1 NOVEL DERIVATIVES OF N, N'- 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS MEDICAMENTS PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2009-05-07 WO 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
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 (2 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 494/4885MAPK8 194/4885ABL1 79/4885
US-20100093668-A1 N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS CHUK, IKBKB, IKBKE AURKA 1145/4885MAPK8 262/4885ABL1 100/4885

“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.