SCHEMBL3580192

SCHEMBL3580192

Nc1ncc(C#Cc2cccc(NC(=O)NCc3cc(F)ccc3N3CCOCC3)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.43
TEK Q02763 5/20 0.43
ABL1 P00519 1/20 0.42
CSF1R P07333 1/20 0.42
BCR P11274 1/20 0.42
SRC P12931 1/20 0.42
BRAF P15056 1/20 0.42
FLT3 P36888 1/20 0.42
KCNH2 Q12809 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41

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 0.91 SCN2A (0.45) LCKTEKABL1CSF1RBCR
SCHEMBL13500271 0.89 NPC1 (0.43) SRCNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3589523 0.84 LCK (0.40) LCKTEKHTTKDRNAMPT
SCHEMBL3576468 0.82 TEK (0.49) LCKTEKKDRNAMPTCYP3A4
SCHEMBL3575251 0.81 SCN2A (0.49) POLBNAMPTCYP3A4CYP2C9
SCHEMBL3582962 0.81 BTK (0.43) TEKABL1CSF1RBCRSRC
SCHEMBL3583017 0.80 LCK (0.44) LCKTEKABL1BCRKDR
SCHEMBL13500262 0.79 SCN2A (0.47) NPC1RAB9AJAK3POLBDGAT1
SCHEMBL3582225 0.79 EGFR (0.54) SMN1; SMN2MAPTEPHX2
SCHEMBL3585570 0.78 CCR3 (0.46) LCKTEKKMT2A

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 LCK 326/4885TEK 1/4885ABL1 81/4885

“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.