SCHEMBL2930600

SCHEMBL2930600

CCN(CC)c1cc2[nH]c(Nc3ccccc3OC(F)(F)F)nc2cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.47
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CSNK1E P49674 4/20 0.41
CSNK1D P48730 2/20 0.41
RAF1 P04049 3/20 0.40
BRAF P15056 2/20 0.40
TP53 P04637 2/20 0.40
C1R P00736 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CSNK1G3 Q9Y6M4 1/20 0.39
RUNX1 Q01196 1/20 0.38
AURKA O14965 1/20 0.38
DDX3X O00571 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL2931275 0.96 ABL1 (0.47) ABL1ALDH1A1SMN1; SMN2CSNK1ECSNK1D
SCHEMBL14693551 0.89 MAPT (0.53) ABL1ALDH1A1SMN1; SMN2TP53NPC1
SCHEMBL2929849 0.86 RAF1 (0.51) ABL1ALDH1A1RAF1BRAFNPC1
SCHEMBL14693664 0.81 DDX3X (0.39) ABL1ALDH1A1SMN1; SMN2RAF1BRAF
SCHEMBL2933012 0.81 RAF1 (0.47) ALDH1A1RAF1BRAFNPC1RAB9A
SCHEMBL14693564 0.80 KDR (0.41) ABL1CSNK1DTP53MAPTDDX3X
SCHEMBL2932514 0.80 RAF1 (0.48) ALDH1A1RAF1BRAFNPC1RAB9A
SCHEMBL2930334 0.80 SMN1; SMN2 (0.50) ABL1ALDH1A1SMN1; SMN2CSNK1ECSNK1D
SCHEMBL2928418 0.79 RAF1 (0.48) RAF1BRAFDDX3X
SCHEMBL2934497 0.78 KDR (0.44) ALDH1A1RAF1BRAFMAPT

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 ABL1 70/4885ALDH1A1 3036/4885SMN1; SMN2 4734/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB ABL1 70/4885ALDH1A1 3036/4885SMN1; SMN2 4734/4885

“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.