SCHEMBL4716640

SCHEMBL4716640

Cc1cc(NC(=O)Nc2cccc(C#Cc3cnc(NCCCN4CCCCC4)nc3)c2)on1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.44
MCHR2 Q969V1 2/20 0.44
BTK Q06187 1/20 0.41
HTR2C P28335 1/20 0.41
FGFR1 P11362 5/20 0.40
FLT3 P36888 1/20 0.40
LCK P06239 1/20 0.39
MAPK14 Q16539 1/20 0.39
CCR3 P51677 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
RAF1 P04049 3/20 0.38
BRAF P15056 3/20 0.38
TEK Q02763 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
SCHEMBL4718602 0.89 ALDH1A1 (0.46) MCHR1MCHR2FGFR1FLT3RAF1
SCHEMBL4717402 0.87 MCHR1 (0.51) MCHR1MCHR2FGFR1CCR3HRH3
SCHEMBL4718429 0.85 BRAF (0.54) RAF1BRAF
SCHEMBL4716494 0.85 CCR3 (0.46) MCHR1MCHR2HTR2CCCR3HRH3
SCHEMBL4717170 0.84 BRAF (0.53) RAF1BRAF
SCHEMBL4717700 0.83 ALDH1A1 (0.48) BTKFLT3RAF1BRAF
SCHEMBL4715395 0.82 MCHR1 (0.52) MCHR1MCHR2FGFR1
SCHEMBL3581939 0.82 FPR3 (0.42) MCHR1MCHR2FGFR1LCKMAPK14
SCHEMBL4714363 0.82 FLT3 (0.48) MCHR1FLT3LCKMAPK14RAF1
SCHEMBL4715838 0.81 MAPK14 (0.48) MCHR1MCHR2MAPK14RAF1BRAF

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
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 MCHR1 3368/4885MCHR2 2131/4885BTK 401/4885

“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.