SCHEMBL4640994

SCHEMBL4640994

Cn1nc(C2CC2)cc1NC(=O)c1cccc(C#Cc2cnc(N)nc2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.52
TEK Q02763 3/20 0.52
PIK3CD O00329 1/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
KDM1A O60341 3/20 0.42
CSF1R P07333 1/20 0.42
PDE10A Q9Y233 5/20 0.42
KDR P35968 1/20 0.41
KIT P10721 2/20 0.40
ABL1 P00519 2/20 0.40
RET P07949 1/20 0.38
BCR P11274 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL4719663 0.85 KCNJ6 (0.49) LCKTEKKDR
SCHEMBL14107734 0.85 PIK3CD (0.53) PIK3CDJAK2JAK1KDM1APDE10A
SCHEMBL4641036 0.82 LCK (0.56) LCKTEKKDM1ACSF1RKDR
SCHEMBL2852141 0.77 JAK2 (0.56) PIK3CDJAK2JAK1KDM1APDE10A
SCHEMBL2854538 0.77 KDM4E (0.53) PIK3CDJAK2JAK1KDM1AGRM5
SCHEMBL4717424 0.77 MAPK14 (0.38) PIK3CD
SCHEMBL4718461 0.77 NTRK1 (0.42) PDE10ARET
SCHEMBL4718624 0.76 KCNJ6 (0.51)
SCHEMBL4714414 0.75 CYP3A4 (0.57) LCKTEKKDR
SCHEMBL2854953 0.74 SMN1; SMN2 (0.50) PIK3CDJAK2JAK1KDM1A

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 5 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
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
CN-101198602-A Saminopyrimidine derivates with tIE2 inhibiting activity ASTRAZENECA AB (SE) 2008-06-11 CN 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 LCK 902/4885TEK 2/4885PIK3CD 2423/4885

“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.