SCHEMBL2928155

SCHEMBL2928155

CCc1cccc(CC)c1Nc1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.53
HSP90AA1 P07900 1/20 0.52
ESR2 Q92731 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.52
HDAC6 Q9UBN7 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ABL1 P00519 5/20 0.47
ALDH1A1 P00352 2/20 0.47
ABCC4 O15439 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDR P35968 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
APEX1 P27695 1/20 0.47
TOP2A P11388 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL3130010 0.90 AKR1C3 (0.53) AKR1C3HSP90AA1ESR2TDP1POLB
SCHEMBL2929624 0.87 ALDH1A1 (0.54) AKR1C3HSP90AA1ESR2TDP1POLB
SCHEMBL1965467 0.82 POLB (0.60) AKR1C3HSP90AA1ESR2TDP1POLB
SCHEMBL2930184 0.81 AKR1C3 (0.49) AKR1C3HSP90AA1ESR2TDP1POLB
SCHEMBL2932936 0.80 AKR1C3 (0.47) AKR1C3HSP90AA1ESR2TDP1POLB
SCHEMBL14693614 0.79 SMN1; SMN2 (0.53) AKR1C3POLBNPSR1ALDH1A1LMNA
SCHEMBL13086165 0.78 KDM4E (0.56) NPSR1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3120847 0.78 POLB (0.55) AKR1C3HSP90AA1ESR2TDP1POLB
SCHEMBL2926215 0.77 RAB9A (0.54) AKR1C3POLBNPSR1ABL1ALDH1A1
SCHEMBL2926135 0.76 HSP90AA1 (0.53) AKR1C3HSP90AA1ESR2TDP1POLB

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 6 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
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 WO 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 944/4885HSP90AA1 2493/4885ESR2 3652/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB AKR1C3 944/4885HSP90AA1 2493/4885ESR2 3652/4885

“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.