SCHEMBL12724879

SCHEMBL12724879

CC(C)Nc1cc(=O)c2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 5/20 0.47
CTSV O60911 5/20 0.47
CTSL P07711 5/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
TUBB4A P04350 1/20 0.47
TP53 P04637 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL8035894 0.81 CYP1A2 (0.59) CYP1A2GAAKDM4ECTSVCTSL
SCHEMBL14108051 0.77 GAA (0.55) CYP1A2GAAKDM4ECTSVCTSL
SCHEMBL14082667 0.74 CYP1A2 (0.51) CYP1A2GAAKDM4ECTSVCTSL
SCHEMBL14104702 0.74 CYP1A2 (0.51) CYP1A2GAAKDM4ECTSVCTSL
SCHEMBL799183 0.74 CYP1A2 (0.59) CYP1A2GAAKDM4ECTSVCTSL
Hydrochloric Acid SCHEMBL6692505 0.72 ALDH1A1 (0.43) CYP1A2GAAKDM4EHPGDHSD17B10
SCHEMBL6088444 0.71 CYP1A2 (0.56) CYP1A2GAAKDM4ECTSVCTSL
SCHEMBL6089085 0.71 CYP1A2 (0.56) CYP1A2GAAKDM4ECTSVCTSL
SCHEMBL10070268 0.71 CTSV (0.58) CTSVCTSLMARS1
SCHEMBL7815453 0.71 CYP1A2 (0.60) CYP1A2GAAKDM4ECTSVCTSL

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-7932257-B2 Substituted pyrazolo[4,3-d]pyrimidines as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 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-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC CYP1A2 2551/4885GAA 2817/4885KDM4E 728/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC CYP1A2 2568/4885GAA 3181/4885KDM4E 951/4885

“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.