SCHEMBL14224555

SCHEMBL14224555

CN(C)CCCn1cc(NC(=O)c2ccc(F)cc2F)cc1C(=O)Nc1cc(-c2nc3cncnc3[nH]2)n(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AURKB Q96GD4 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
CDK2 P24941 2/20 0.33
CDK1 P06493 1/20 0.33
FSCN1 Q16658 1/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL14224793 0.93 CYP11B2 (0.36) HDAC1HDAC2HDAC8CDK2CDK1
SCHEMBL14224553 0.89 AURKA (0.35) AURKARPS6KB1AURKBHDAC1HDAC2
SCHEMBL14224550 0.87 HDAC1 (0.34) AURKAAURKBHDAC1HDAC2HDAC8
SCHEMBL14224552 0.86 SMN1; SMN2 (0.43) FSCN1L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL14224527 0.84 CBLB (0.36) HDAC1HDAC2HDAC8ABL1SRC
SCHEMBL14224798 0.83 CYP11B2 (0.40) HDAC1HDAC2HDAC8CDK2CDK1
SCHEMBL14224805 0.83 HDAC1 (0.33) HDAC1HDAC2HDAC8MAPK1TDP1
SCHEMBL14224801 0.81 CYP11B2 (0.39) HDAC1HDAC2HDAC8CDK2CDK1
SCHEMBL14224802 0.80 MAPT (0.41) L3MBTL1KDM4ENPC1ALDH1A1MAPK1
SCHEMBL14224754 0.80 POLB (0.40) KDM4ENPC1ALDH1A1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS QTRT1, Q6ZSR9, QTRT2 AURKA 857/4885RPS6KB1 430/4885AURKB 356/4885

“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.