SCHEMBL3587886

SCHEMBL3587886

Nc1ncc(C#Cc2cccc(NC(=O)NCCCN3CCCC3)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
CCR3 P51677 11/20 0.51
HTR2A P28223 5/20 0.51
MCHR2 Q969V1 1/20 0.49
MCHR1 Q99705 1/20 0.49
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR3A P46098 1/20 0.47

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 0.94 MEN1 (0.55) MAPTCCR3MEN1POLBKMT2A
SCHEMBL3584139 0.89 CCR3 (0.49) MAPTCCR3HTR2AMCHR2MCHR1
SCHEMBL3582170 0.87 KMT2A (0.56) MEN1KMT2A
SCHEMBL3575909 0.86 CCR3 (0.48) MAPTCCR3HTR2AMEN1POLB
SCHEMBL3582225 0.85 EGFR (0.54) MAPTCCR3
SCHEMBL3579321 0.82 MEN1 (0.53) MAPTCCR3MEN1POLBKMT2A
SCHEMBL3580051 0.82 MEN1 (0.55) CCR3MEN1POLBKMT2A
SCHEMBL4717402 0.81 MCHR1 (0.51) MAPTCCR3HTR2AMCHR2MCHR1
SCHEMBL3580063 0.81 SMN1; SMN2 (0.51) MAPTCCR3HTR2AMCHR1
SCHEMBL4716494 0.79 CCR3 (0.46) CCR3HTR2AMCHR2MCHR1

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 MAPT 1426/4885CCR3 3362/4885HTR2A 3314/4885

“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.