SCHEMBL3575909

SCHEMBL3575909

Nc1ncc(C#Cc2cccc(NC(=O)NCCN3CCSCC3)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.48
LIMK1 P53667 1/20 0.47
KMT2A Q03164 2/20 0.45
LCK P06239 2/20 0.45
TEK Q02763 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
EGFR P00533 2/20 0.44
MAPT P10636 3/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HTR2A P28223 2/20 0.42
PRMT3 O60678 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL3585337 0.92 MEN1 (0.55) CCR3LIMK1KMT2ALCKTEK
SCHEMBL3582225 0.89 EGFR (0.54) CCR3EGFRMAPTPKM
SCHEMBL3587886 0.86 MAPT (0.51) CCR3KMT2AMEN1POLBMAPT
SCHEMBL3579321 0.80 MEN1 (0.53) CCR3LIMK1KMT2AMEN1POLB
SCHEMBL3580051 0.80 MEN1 (0.55) CCR3LIMK1KMT2AMEN1POLB
SCHEMBL3582170 0.79 KMT2A (0.56) KMT2AMEN1
SCHEMBL3573312 0.78 EPHX2 (0.53) CCR3LIMK1TEKEGFRKDR
SCHEMBL3579039 0.77 LCK (0.47) CCR3KMT2ALCKTEKMEN1
SCHEMBL13500268 0.76 MEN1 (0.58) LIMK1KMT2AMEN1POLBEGFR
SCHEMBL4720860 0.76 KDR (0.57) KMT2ALCKTEKMEN1POLB

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-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
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 CCR3 3362/4885LIMK1 1565/4885KMT2A 815/4885

“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.