SCHEMBL2931923

SCHEMBL2931923

O=C(O)c1ccc2[nH]c(Nc3ccncc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.57
POLB P06746 1/20 0.56
DDX3X O00571 1/20 0.46
PIK3CA P42336 1/20 0.46
CSNK2A1 P68400 4/20 0.44
CSNK2A2 P19784 3/20 0.44
CSNK2B P67870 3/20 0.44
CAMK2D Q13557 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
HDAC11 Q96DB2 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
HSP90AA1 P07900 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL2929452 0.89 AKR1C3 (0.71) AKR1C3POLBDDX3XPIK3CACSNK2A1
SCHEMBL2930489 0.85 AKR1C3 (0.59) AKR1C3POLBDDX3XPIK3CACSNK2A1
SCHEMBL20685362 0.83 POLB (0.56) AKR1C3POLBDDX3XPIK3CA
SCHEMBL20685301 0.82 POLB (0.55) AKR1C3POLBDDX3XPIK3CAHDAC6
SCHEMBL4166869 0.79 POLB (0.61) AKR1C3POLBPIK3CACSNK2A1CSNK2A2
SCHEMBL20685385 0.79 NPC1 (0.55) AKR1C3POLBDDX3XPIK3CATDP1
SCHEMBL20685225 0.79 NPC1 (0.55) AKR1C3POLBDDX3XPIK3CAHDAC6
SCHEMBL20685375 0.79 MTOR (0.55) AKR1C3POLB
SCHEMBL20819208 0.79 AKR1C3 (0.50) AKR1C3POLBHSP90AA1ESR2TDP1
SCHEMBL2671311 0.79 AKR1C3 (0.50) AKR1C3POLBHSP90AA1ESR2TDP1

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 AKR1C3 944/4885POLB 1990/4885DDX3X 1003/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB AKR1C3 944/4885POLB 1990/4885DDX3X 1003/4885

“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.