SCHEMBL2931803

SCHEMBL2931803

CCN(CC)c1cc2[nH]c(Nc3ncccc3C(F)(F)F)nc2cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.42
BRAF P15056 5/20 0.42
DHODH Q02127 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
GSK3B P49841 1/20 0.39
CSNK1G2 P78368 1/20 0.39
PDE10A Q9Y233 1/20 0.39
RUNX1 Q01196 1/20 0.38
KDR P35968 2/20 0.37
CYP1A2 P05177 2/20 0.37
HIF1A Q16665 2/20 0.37
MEN1 O00255 1/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TTR P02766 1/20 0.37

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
SCHEMBL2924961 0.87 LMNA (0.39) RAF1BRAFDHODHCYP1A2MEN1
SCHEMBL2925821 0.86 DHODH (0.39) RAF1BRAFDHODHMEN1KMT2A
SCHEMBL2929849 0.86 RAF1 (0.51) RAF1BRAFHDAC6MEN1ALDH1A1
SCHEMBL2931133 0.82 CRHR1 (0.41) DHODHCYP1A2MEN1LMNACYP3A4
SCHEMBL2933012 0.81 RAF1 (0.47) RAF1BRAFMEN1ALDH1A1KMT2A
SCHEMBL14693639 0.80 HDAC11 (0.41) DHODHHDAC6MEN1LMNAPKM
SCHEMBL2932201 0.80 CRHR1 (0.44) DHODHCYP1A2MEN1LMNACYP3A4
SCHEMBL2933103 0.79 NPC1 (0.37) RAF1BRAFCYP1A2HIF1AMEN1
SCHEMBL2928418 0.79 RAF1 (0.48) RAF1BRAFKMT2A
SCHEMBL2929182 0.79 GAA (0.39) RAF1BRAFDHODHCYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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 (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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB RAF1 427/4885BRAF 351/4885DHODH 1858/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB RAF1 427/4885BRAF 351/4885DHODH 1858/4885

“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.