SCHEMBL3583017

SCHEMBL3583017

CN1CCN(c2ccccc2CNC(=O)Nc2cccc(C#Cc3cnc(N)nc3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.44
TEK Q02763 3/20 0.44
KDR P35968 1/20 0.44
RET P07949 1/20 0.43
KIT P10721 4/20 0.43
PDGFRA P16234 1/20 0.41
CCR3 P51677 1/20 0.41
ABL1 P00519 2/20 0.40
BCR P11274 1/20 0.40
BTK Q06187 1/20 0.40
MCHR1 Q99705 1/20 0.40
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.39
ADRA1A P35348 1/20 0.39
DDR1 Q08345 1/20 0.39
DDR2 Q16832 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
SCHEMBL3576468 0.91 TEK (0.49) LCKTEKKDRCCR3BTK
SCHEMBL3578235 0.90 SCN2A (0.45) LCKTEKKDRCCR3ABL1
SCHEMBL3585570 0.87 CCR3 (0.46) LCKTEKCCR3BTK
SCHEMBL13500320 0.86 FGFR3 (0.48) KDRPDGFRABTKMCHR1BRD4
SCHEMBL3579085 0.81 SCN2A (0.47) LCKTEKKDRRET
SCHEMBL3580192 0.80 LCK (0.43) LCKTEKKDRABL1BCR
SCHEMBL3575251 0.80 SCN2A (0.49) RETBRD4BRD9
SCHEMBL3582962 0.79 BTK (0.43) TEKKDRKITCCR3ABL1
SCHEMBL3666096 0.78 LCK (0.54) LCKTEKKDRRETKIT
SCHEMBL4716964 0.78 LCK (0.46) LCKTEKKDRRETKIT

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 1/4885KDR 11/4885

“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.