SCHEMBL4714414

SCHEMBL4714414

CC(C)(C)n1nc(C2CC2)cc1NC(=O)Nc1cccc(C#Cc2cnc(N)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
CYP2C19 P33261 1/20 0.57
KCNJ6 P48051 13/20 0.46
KCNJ3 P48549 13/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.44
KCNJ5 P48544 9/20 0.44
LCK P06239 2/20 0.44
TEK Q02763 2/20 0.44
BTK Q06187 1/20 0.42
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40

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 0.89 KCNJ6 (0.49) CYP3A4GAACYP2C19KCNJ6KCNJ3
SCHEMBL4718624 0.80 KCNJ6 (0.51) CYP3A4GAACYP2C19KCNJ6KCNJ3
SCHEMBL4715085 0.78 MAPK14 (0.60) BRAF
SCHEMBL4718461 0.77 NTRK1 (0.42) CYP3A4GAACYP2C19KCNJ6KCNJ3
SCHEMBL4718570 0.76 MEN1 (0.50) KCNJ6KCNJ3MEN1KMT2AATM
SCHEMBL4720016 0.75 RAF1 (0.52) LCKTEKBRAFKDR
SCHEMBL4640994 0.75 LCK (0.52) LCKTEKKDR
SCHEMBL4720860 0.75 KDR (0.57) MEN1KMT2ALCKTEKKDR
SCHEMBL4716764 0.74 FLT3 (0.47) KCNJ6KCNJ3KCNJ5LCKTEK
SCHEMBL4719789 0.74 LCK (0.54) MEN1KMT2ALCKTEKKDR

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
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 CYP3A4 4207/4885GAA 3418/4885CYP2C19 3553/4885

“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.