SCHEMBL3582962

SCHEMBL3582962

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)NCc2ccccc2N2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.43
SCN2A Q99250 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
CSF1R P07333 1/20 0.41
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
FLT3 P36888 1/20 0.41
KCNH2 Q12809 1/20 0.41
CCR3 P51677 1/20 0.40
POLB P06746 1/20 0.39
MAP4K4 O95819 1/20 0.39
KDR P35968 2/20 0.39
KIT P10721 1/20 0.39
TEK Q02763 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NAMPT P43490 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL3578235 0.90 SCN2A (0.45) BTKSCN2ASCN10AABL1BCR
SCHEMBL4721101 0.88 BTK (0.51) BTKABL1BCRCSF1RSRC
SCHEMBL3572624 0.86 PIK3CA (0.40) BTKSCN2ASCN10AABL1BCR
SCHEMBL3573312 0.81 EPHX2 (0.53) CCR3MAP4K4KDRKITTEK
SCHEMBL3576468 0.81 TEK (0.49) BTKSCN2ASCN10ACCR3KDR
SCHEMBL3580192 0.81 LCK (0.43) ABL1BCRCSF1RSRCBRAF
SCHEMBL3575251 0.80 SCN2A (0.49) SCN2ASCN10APOLBCYP3A4CYP2C9
SCHEMBL3580063 0.80 SMN1; SMN2 (0.51) CCR3KDRMAPTEPHX2
SCHEMBL3583017 0.79 LCK (0.44) BTKABL1BCRCCR3KDR
SCHEMBL3584955 0.79 GAA (0.41) SCN2ASCN10ACCR3POLBCYP3A4

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 BTK 218/4885SCN2A 4543/4885SCN10A 4171/4885

“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.