SCHEMBL3579085

SCHEMBL3579085

Nc1ncc(C#Cc2cncc(NC(=O)NCc3ccccc3N3CCCCC3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.47
SCN10A Q9Y5Y9 2/20 0.47
TEK Q02763 4/20 0.43
LCK P06239 3/20 0.43
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
KDR P35968 2/20 0.41
RET P07949 1/20 0.41
NAMPT P43490 4/20 0.40
LIPG Q9Y5X9 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3575251 0.91 SCN2A (0.49) SCN2ASCN10ARETNAMPTCYP3A4
SCHEMBL3576468 0.90 TEK (0.49) SCN2ASCN10ATEKLCKFABP3
SCHEMBL3576068 0.82 NPC1 (0.48) SCN2ASCN10ARETNAMPTKDM4E
SCHEMBL3578235 0.81 SCN2A (0.45) SCN2ASCN10ATEKLCKKDR
SCHEMBL3583017 0.81 LCK (0.44) TEKLCKKDRRET
SCHEMBL3579748 0.80 ALOX5 (0.50) TEKLCKKDRRETNAMPT
SCHEMBL3574459 0.80 MAPK1 (0.53) NAMPTKDM4EMEN1ALDH1A1MAPT
SCHEMBL13500278 0.80 SCN2A (0.46) SCN2ASCN10AFABP3FABP4KDR
SCHEMBL3585570 0.79 CCR3 (0.46) TEKLCKKMT2A
SCHEMBL13500282 0.78 SCN2A (0.55) SCN2ASCN10ANAMPTCYP3A4CYP2C19

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
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
CN-101137652-A Pyrimidine compounds having tie2 (tek) inhibitory activity ASTRAZENECA AB (SE) 2008-03-05 CN 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 4171/4885TEK 1/4885

“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.