SCHEMBL12724809

SCHEMBL12724809

Cc1ccc(CCN(C)C)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.41
TAAR1 Q96RJ0 4/20 0.38
HSPA5 P11021 1/20 0.37
CYP2C19 P33261 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33

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
SCHEMBL2758301 0.78 HTR1D (0.40) HTR1DTAAR1CYP1A2ALDH1A1KCNH2
SCHEMBL24124009 0.77 PYCR1 (0.47) TAAR1CYP2C19SMN1; SMN2CYP1A2HTR6
SCHEMBL2253387 0.77 HSPA5 (0.53) TAAR1HSPA5CYP2C19SMN1; SMN2CYP1A2
SCHEMBL12309154 0.76 HSPA5 (0.64) HTR1DHSPA5CYP2C19SMN1; SMN2CYP1A2
SCHEMBL3062147 0.76 TAAR1 (0.55) HTR1DTAAR1ALDH1A1KCNH2KDM4E
SCHEMBL10611171 0.75 HSPA5 (0.47) HSPA5CYP2C19SMN1; SMN2CYP1A2CYP2C9
SCHEMBL28121848 0.73 HSPA5 (0.41) HSPA5CYP2C19SMN1; SMN2CYP1A2CYP2C9
SCHEMBL24123873 0.73 HTR1D (0.56) HTR1DTAAR1CYP2C19CYP1A2KCNH2
SCHEMBL6831444 0.73 HTR6 (0.39) TAAR1CYP2C19SMN1; SMN2CYP1A2HTR6
SCHEMBL27388601 0.72 ALDH1A1 (0.39) HTR1DTAAR1CYP2C19CYP1A2HTR6

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 HTR1D 2707/4885TAAR1 3348/4885HSPA5 4446/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC HTR1D 3433/4885TAAR1 4231/4885HSPA5 4581/4885

“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.