SCHEMBL5484543

SCHEMBL5484543

COc1ccc(N2CCCCC2)c(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.48
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C19 P33261 4/20 0.48
TSHR P16473 4/20 0.48
KDM4E B2RXH2 3/20 0.48
CYP2C9 P11712 3/20 0.48
ALOX15 P16050 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
GALR2 O43603 7/20 0.42
GALR1 P47211 3/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
CYP2D6 P10635 2/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
CLK4 Q9HAZ1 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
SCHEMBL5484456 0.95 KDM4E (0.44) HSD17B10CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL5477008 0.84 ABL1 (0.47) HSD17B10CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL5482995 0.84 TSHR (0.48) HSD17B10CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL5486944 0.84 CYP11B2 (0.44) HSD17B10CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL5489633 0.83 CYP11B2 (0.44) HSD17B10CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL5484057 0.79 ABCG2 (0.54) HSD17B10CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL5484062 0.78 ABCG2 (0.59) CYP1A2CYP3A4CYP2C19TSHRCYP2C9
SCHEMBL14493019 0.77 ABCG2 (0.47) HSD17B10CYP1A2CYP3A4CYP2C19TSHR
Hydrochloric Acid SCHEMBL5482581 0.76 ABCG2 (0.47) HSD17B10CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL5485895 0.76 KMT2A (0.45) HSD17B10CYP1A2CYP3A4CYP2C19TSHR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351691-A4 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-06-22 EP claimed
US-20040097503-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-05-20 US claimed
US-6716851-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-04-06 US claimed
EP-1351691-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2003-10-15 EP claimed
US-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-10 US claimed
WO-2002047690-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-06-20 WO claimed
US-7226927-B2 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-05 US disclosed
EP-1351691-A4 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-06-22 EP disclosed
US-20040097503-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-05-20 US disclosed
US-6716851-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-04-06 US disclosed
EP-1351691-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2003-10-15 EP disclosed
US-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-10 US disclosed
WO-2002047690-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-06-20 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-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof API5, CASP2, APAF1 HSD17B10 1557/4885CYP1A2 300/4885CYP3A4 408/4885
US-20040097503-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof API5, CASP2, APAF1 HSD17B10 1576/4885CYP1A2 294/4885CYP3A4 403/4885

“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.