SCHEMBL2927124

SCHEMBL2927124

O=C(O)c1ccc2nc(Nc3ccccc3C(F)(F)F)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
RAF1 P04049 1/20 0.56
BRAF P15056 1/20 0.56
HDAC6 Q9UBN7 3/20 0.51
AKR1C3 P42330 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
POLB P06746 1/20 0.50
AURKA O14965 1/20 0.47
AKR1C2 P52895 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ESR2 Q92731 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ABL1 P00519 2/20 0.47
PIK3CA P42336 1/20 0.46
ABCC4 O15439 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL1964565 0.91 AKR1C3 (0.51) SMN1; SMN2RAF1BRAFHDAC6AKR1C3
SCHEMBL2931503 0.88 AKR1C3 (0.51) SMN1; SMN2RAF1BRAFHDAC6AKR1C3
SCHEMBL2934474 0.84 AKR1C3 (0.54) SMN1; SMN2RAF1BRAFHDAC6AKR1C3
SCHEMBL2930334 0.83 SMN1; SMN2 (0.50) SMN1; SMN2RAF1BRAFHDAC6AKR1C3
SCHEMBL2929624 0.82 ALDH1A1 (0.54) SMN1; SMN2RAF1BRAFHDAC6AKR1C3
Trifluoroacetic Acid SCHEMBL6501519 0.82 GAA (0.52) SMN1; SMN2RAF1BRAFAKR1C3POLB
SCHEMBL2930797 0.81 AKR1C3 (0.56) SMN1; SMN2RAF1BRAFHDAC6AKR1C3
SCHEMBL2928349 0.81 HDAC6 (0.55) SMN1; SMN2HDAC6AKR1C3HDAC3POLB
SCHEMBL2931390 0.81 RAF1 (0.49) RAF1BRAFAKR1C3POLBAURKA
SCHEMBL2932193 0.81 RAF1 (0.52) RAF1BRAFPOLBALDH1A1LMNA

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 SMN1; SMN2 4734/4885RAF1 427/4885BRAF 351/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB SMN1; SMN2 4734/4885RAF1 427/4885BRAF 351/4885

“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.