SCHEMBL2930489

SCHEMBL2930489

O=C(O)c1ccc2[nH]c(Nc3cccnc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.59
POLB P06746 1/20 0.49
CSNK2A1 P68400 5/20 0.46
CSNK2A2 P19784 4/20 0.46
CSNK2B P67870 4/20 0.46
DDX3X O00571 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
PRKCA P17252 1/20 0.44
PNP P00491 1/20 0.44
FHIT P49789 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 2/20 0.42
CHEK1 O14757 1/20 0.42

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 0.87 AKR1C3 (0.71) AKR1C3POLBCSNK2A1CSNK2A2CSNK2B
SCHEMBL2931923 0.85 AKR1C3 (0.57) AKR1C3POLBCSNK2A1CSNK2A2CSNK2B
SCHEMBL1163512 0.77 KMT2A (0.59) AKR1C3POLBDDX3XKDM4EALDH1A1
SCHEMBL2925610 0.77 NPC1 (0.63) AKR1C3POLBDDX3XHDAC6KDM4E
SCHEMBL20685362 0.77 POLB (0.56) AKR1C3POLBDDX3XCSNK1A1CSNK1D
SCHEMBL2419363 0.76 FHIT (0.66) POLBKDM4EALDH1A1MAPTFHIT
SCHEMBL20685301 0.76 POLB (0.55) AKR1C3POLBDDX3XHDAC6KDM4E
SCHEMBL9717917 0.75 RAB9A (0.52) KDM4EALDH1A1MAPT
SCHEMBL5108887 0.75 ALDH1A1 (0.51) CSNK2A1CSNK2A2CSNK2BKDM4EALDH1A1
SCHEMBL1965111 0.75 AKR1C3 (0.55) AKR1C3POLBCSNK2A1DDX3XHDAC6

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 1990/4885CSNK2A1 346/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB AKR1C3 944/4885POLB 1990/4885CSNK2A1 346/4885

“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.