SCHEMBL4617705

SCHEMBL4617705

Cc1noc(C)c1-c1nc(C(C)(C)C)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRD4 O60885 6/20 0.39
BRD2 P25440 1/20 0.39
CCR4 P51679 3/20 0.37
LMNA P02545 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CYP1A2 P05177 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CYP3A4 P08684 2/20 0.34
USP2 O75604 1/20 0.34
MLYCD O95822 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL18157876 0.74 CCR4 (0.46) MAPTNPSR1CCR4LMNACNR1
SCHEMBL577719 0.69 MLYCD (0.36) BRD4BRD2LMNACYP1A2ALDH1A1
SCHEMBL577499 0.68 CYP1A2 (0.34) BRD4BRD2LMNACYP1A2ALDH1A1
SCHEMBL13147681 0.68 IDH1 (0.36) BRD4CYP1A2ALDH1A1MEN1TSHR
SCHEMBL12926071 0.67 BRD4 (0.56) KDM4EMAPTBRD4CYP1A2ALDH1A1
SCHEMBL8215623 0.67 RAB9A (0.54) KDM4EMAPTCCR4LMNACNR1
SCHEMBL21652197 0.67 PIM1 (0.43) MAPTNPSR1CCR4LMNAALDH1A1
SCHEMBL2608449 0.66 ALDH1A1 (0.44) KDM4EMAPTCCR4LMNAALDH1A1
SCHEMBL21366090 0.66 LMNA (0.36) MAPTNPSR1CCR4LMNACNR1
SCHEMBL16340862 0.65 ALDH1A1 (0.50) CCR4LMNACNR1CNR2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 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 (1 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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 KDM4E 240/4885MAPT 3163/4885NPSR1 1680/4885

“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.