SCHEMBL3575251

SCHEMBL3575251

Nc1ncc(C#Cc2cncc(NC(=O)NCc3ccccc3N3CCOCC3)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 3/20 0.49
SCN10A Q9Y5Y9 3/20 0.49
NAMPT P43490 6/20 0.41
PIK3CA P42336 4/20 0.40
RET P07949 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
RIPK1 Q13546 1/20 0.37
BRD4 O60885 1/20 0.37
BRD9 Q9H8M2 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
SCHEMBL3579085 0.91 SCN2A (0.47) SCN2ASCN10ANAMPTRETCYP3A4
SCHEMBL3578235 0.90 SCN2A (0.45) SCN2ASCN10ANAMPTCYP3A4CYP2C9
SCHEMBL13500282 0.87 SCN2A (0.55) SCN2ASCN10ANAMPTPIK3CACYP3A4
SCHEMBL3576886 0.83 SCN2A (0.41) SCN2ASCN10ANAMPTPIK3CACYP3A4
SCHEMBL3586017 0.83 SCN2A (0.41) SCN2ASCN10ANAMPTPIK3CACYP3A4
SCHEMBL3576468 0.81 TEK (0.49) SCN2ASCN10ANAMPTCYP3A4CYP2C9
SCHEMBL3580192 0.81 LCK (0.43) NAMPTCYP3A4CYP2C9POLB
SCHEMBL3576068 0.81 NPC1 (0.48) SCN2ASCN10ANAMPTRETCYP2C9
SCHEMBL13500262 0.80 SCN2A (0.47) SCN2ASCN10ANAMPTPIK3CACYP3A4
SCHEMBL3582962 0.80 BTK (0.43) SCN2ASCN10ANAMPTCYP3A4CYP2C9

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 SCN2A 4543/4885SCN10A 4171/4885NAMPT 134/4885

“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.