SCHEMBL12724899

SCHEMBL12724899

Cc1ccc2[nH]c(NC(C)(C)C)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
HIF1A Q16665 1/20 0.41
PKM P14618 2/20 0.41
NPC1 O15118 5/20 0.39
POLB P06746 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39

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
SCHEMBL16202776 0.82 CSNK1D (0.44) CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL15942807 0.81 ADORA2A (0.47) ADORA2AMAPTKMT2AMEN1CYP1A2
SCHEMBL8733206 0.79 MAPT (0.48) ADORA2AMAPTKMT2AMEN1CYP1A2
SCHEMBL12724886 0.79 FABP6 (0.50) MAPTKMT2AMEN1TUBB4ATUBB
SCHEMBL11784559 0.78 CSNK1D (0.46) ADORA2AMAPTKMT2AMEN1CYP1A2
SCHEMBL128646 0.78 NPC1 (0.46) ADORA2AMAPTKMT2AMEN1CYP1A2
SCHEMBL13801480 0.77 LMNA (0.56) ADORA2AMAPTKMT2AMEN1RAB9A
SCHEMBL15246752 0.77 MAPT (0.46) ADORA2AMAPTKMT2AMEN1CYP1A2
SCHEMBL2632885 0.77 RAB9A (0.51) ADORA2AMAPTKMT2AMEN1CYP1A2
SCHEMBL15246703 0.75 RAB9A (0.45) ADORA2AMAPTKMT2AMEN1CYP1A2

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 ADORA2A 1602/4885MAPT 1402/4885KMT2A 529/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC ADORA2A 995/4885MAPT 1438/4885KMT2A 622/4885

“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.