SCHEMBL4718461

SCHEMBL4718461

Cn1nc(C2CC2)cc1NC(=O)Nc1cncc(C#Cc2cnc(N)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.42
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNJ6 P48051 12/20 0.40
KCNJ3 P48549 12/20 0.40
RET P07949 1/20 0.40
KCNJ5 P48544 7/20 0.38
PDE10A Q9Y233 3/20 0.38
KCNH2 Q12809 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35

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 0.87 KCNJ6 (0.49) CYP3A4GAACYP2C19KCNJ6KCNJ3
SCHEMBL4717424 0.82 MAPK14 (0.38) NTRK1CYP3A4GAACYP2C19KCNJ6
SCHEMBL4721035 0.82 MAPK14 (0.55) NTRK1RET
SCHEMBL4718624 0.78 KCNJ6 (0.51) CYP3A4GAACYP2C19KCNJ6KCNJ3
SCHEMBL4714414 0.77 CYP3A4 (0.57) CYP3A4GAACYP2C19KCNJ6KCNJ3
SCHEMBL4640994 0.77 LCK (0.52) RETPDE10A
SCHEMBL4638868 0.72 RET (0.41) RET
SCHEMBL4718570 0.71 MEN1 (0.50) KCNJ6KCNJ3KCNJ5
SCHEMBL4716764 0.70 FLT3 (0.47) KCNJ6KCNJ3KCNJ5
SCHEMBL4638244 0.70 AAK1 (0.46) RET

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
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

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 NTRK1 2171/4885CYP3A4 4207/4885GAA 3418/4885

“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.