SCHEMBL2933099

SCHEMBL2933099

Cc1c(F)cccc1Nc1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
ESR2 Q92731 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
AKR1C3 P42330 1/20 0.50
POLB P06746 4/20 0.49
HDAC6 Q9UBN7 1/20 0.47
NR4A2 P43354 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDR P35968 2/20 0.45
ABL1 P00519 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ABCC4 O15439 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTT P42858 1/20 0.45
HIF1A Q16665 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL2934474 0.88 AKR1C3 (0.54) HSP90AA1ESR2TDP1AKR1C3POLB
SCHEMBL2931581 0.86 POLB (0.55) HSP90AA1ESR2TDP1AKR1C3POLB
SCHEMBL2929642 0.81 TDP1 (0.53) HSP90AA1ESR2TDP1AKR1C3POLB
SCHEMBL2930797 0.80 AKR1C3 (0.56) HSP90AA1ESR2TDP1AKR1C3POLB
SCHEMBL3120847 0.80 POLB (0.55) HSP90AA1ESR2TDP1AKR1C3POLB
SCHEMBL2929624 0.79 ALDH1A1 (0.54) HSP90AA1ESR2TDP1AKR1C3POLB
SCHEMBL2931503 0.78 AKR1C3 (0.51) HSP90AA1ESR2TDP1AKR1C3POLB
SCHEMBL2927124 0.78 SMN1; SMN2 (0.56) HSP90AA1ESR2TDP1AKR1C3POLB
SCHEMBL2931480 0.78 AKR1C3 (0.51) HSP90AA1ESR2TDP1AKR1C3POLB
SCHEMBL2927341 0.78 LMNA (0.65) HSP90AA1ESR2TDP1AKR1C3POLB

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 HSP90AA1 2493/4885ESR2 3652/4885TDP1 871/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB HSP90AA1 2493/4885ESR2 3652/4885TDP1 871/4885

“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.