SCHEMBL3585570

SCHEMBL3585570

Nc1ncc(C#Cc2cccc(NC(=O)NCc3ccccc3N3CCC(CO)CC3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.46
KMT2A Q03164 1/20 0.41
BTK Q06187 4/20 0.40
LCK P06239 2/20 0.40
TEK Q02763 2/20 0.40
HTR2A P28223 1/20 0.38
NPY1R P25929 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
SCHEMBL3576468 0.89 TEK (0.49) CCR3BTKLCKTEK
SCHEMBL13500328 0.87 KDR (0.42) CCR3KMT2ABTKNPY1R
SCHEMBL3578235 0.87 SCN2A (0.45) CCR3KMT2ABTKLCKTEK
SCHEMBL3583017 0.87 LCK (0.44) CCR3BTKLCKTEK
SCHEMBL3579085 0.79 SCN2A (0.47) KMT2ALCKTEK
SCHEMBL3580192 0.78 LCK (0.43) KMT2ALCKTEK
SCHEMBL3575251 0.78 SCN2A (0.49)
SCHEMBL3582962 0.77 BTK (0.43) CCR3KMT2ABTKTEK
SCHEMBL3666096 0.76 LCK (0.54) LCKTEK
SCHEMBL13500278 0.75 SCN2A (0.46)

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 2 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

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 3362/4885KMT2A 815/4885BTK 218/4885

“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.