SCHEMBL2934497

SCHEMBL2934497

CCN(CC)c1cc2[nH]c(Nc3cc(C(F)(F)F)ccc3Cl)nc2cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.44
TEK Q02763 3/20 0.44
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ADRA2A P08913 1/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
RAF1 P04049 4/20 0.38
BRAF P15056 2/20 0.38
LPAR2 Q9HBW0 1/20 0.37
P2RY14 Q15391 1/20 0.37
AGPAT2 O15120 1/20 0.37
MMP1 P03956 1/20 0.37
POLB P06746 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
SCHEMBL2929849 0.82 RAF1 (0.51) ALDH1A1RAF1BRAF
SCHEMBL14693550 0.78 POLB (0.47) ALDH1A1RAF1POLB
SCHEMBL14693564 0.78 KDR (0.41) KDRTEKMAPTPOLB
SCHEMBL2930600 0.78 ABL1 (0.47) MAPTALDH1A1RAF1BRAF
SCHEMBL2933012 0.78 RAF1 (0.47) ALDH1A1RAF1BRAF
SCHEMBL2925821 0.77 DHODH (0.39) MAPTRAF1BRAFPOLB
SCHEMBL2931803 0.76 RAF1 (0.42) KDRDYRK1ADYRK1BALDH1A1RAF1
SCHEMBL14693639 0.76 HDAC11 (0.41) MAPTPOLB
SCHEMBL14693571 0.76 POLB (0.40) KDRTEKRAF1BRAFPOLB
SCHEMBL14693551 0.76 MAPT (0.53) MAPTALDH1A1POLB

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 KDR 2216/4885TEK 1398/4885DYRK1A 1249/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB KDR 2216/4885TEK 1398/4885DYRK1A 1249/4885

“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.