SCHEMBL3576468

SCHEMBL3576468

Nc1ncc(C#Cc2cccc(NC(=O)NCc3ccccc3N3CCCCC3)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TEK Q02763 5/20 0.49
LCK P06239 4/20 0.49
SCN2A Q99250 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
KDR P35968 2/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
CCR3 P51677 1/20 0.42
BTK Q06187 7/20 0.40
NAMPT P43490 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ITK Q08881 1/20 0.39

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
SCHEMBL3583017 0.91 LCK (0.44) TEKLCKKDRCCR3BTK
SCHEMBL3578235 0.91 SCN2A (0.45) TEKLCKSCN2ASCN10AKDR
SCHEMBL3579085 0.90 SCN2A (0.47) TEKLCKSCN2ASCN10AKDR
SCHEMBL3585570 0.89 CCR3 (0.46) TEKLCKCCR3BTK
SCHEMBL13500278 0.86 SCN2A (0.46) SCN2ASCN10AKDRFABP3FABP4
SCHEMBL3580192 0.82 LCK (0.43) TEKLCKKDRNAMPTCYP3A4
SCHEMBL3575251 0.81 SCN2A (0.49) SCN2ASCN10ANAMPTCYP1A2CYP3A4
SCHEMBL3582962 0.81 BTK (0.43) TEKSCN2ASCN10AKDRCCR3
SCHEMBL3587191 0.80 CSNK2A1 (0.41) LCKSCN2ASCN10ACCR3
SCHEMBL3666096 0.79 LCK (0.54) TEKLCKKDRNAMPTTRPV1

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 4 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
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 TEK 1/4885LCK 326/4885SCN2A 4543/4885

“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.