SCHEMBL3573312

SCHEMBL3573312

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)NCCN2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.53
EGFR P00533 2/20 0.53
AURKA O14965 1/20 0.52
RPS6KB1 P23443 1/20 0.52
CNR1 P21554 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.49
MAP4K4 O95819 2/20 0.47
LIMK1 P53667 1/20 0.47
CCR3 P51677 1/20 0.46
KDR P35968 2/20 0.45
PDGFRB P09619 1/20 0.45
FLT1 P17948 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
KIT P10721 1/20 0.44
TEK Q02763 1/20 0.44

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
SCHEMBL3580063 0.95 SMN1; SMN2 (0.51) EPHX2EGFRAURKARPS6KB1SMN1; SMN2
SCHEMBL3579321 0.92 MEN1 (0.53) EPHX2EGFRCNR1MAP4K4LIMK1
SCHEMBL3580051 0.91 MEN1 (0.55) EPHX2EGFRCNR1MAP4K4LIMK1
SCHEMBL3582225 0.89 EGFR (0.54) EPHX2EGFRAURKARPS6KB1CNR1
SCHEMBL3584139 0.86 CCR3 (0.49) CCR3
SCHEMBL3582962 0.81 BTK (0.43) EPHX2MAP4K4CCR3KDRKIT
SCHEMBL3576332 0.81 EPHX2 (0.46) EPHX2MAP4K4
SCHEMBL4721101 0.80 BTK (0.51) SMN1; SMN2KDRKIT
SCHEMBL3585337 0.80 MEN1 (0.55) EPHX2EGFRCNR1LIMK1CCR3
SCHEMBL3572624 0.80 PIK3CA (0.40) MAP4K4KDRPIK3CAMTORKIT

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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 EPHX2 1948/4885EGFR 827/4885AURKA 164/4885

“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.