SCHEMBL4715852

SCHEMBL4715852

O=C(Nc1cccc(C#Cc2cnc(NCCN3CCCC3)nc2)c1)Nc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDR P35968 2/20 0.48
HTR2A P28223 2/20 0.46
HTR2C P28335 1/20 0.46
CCR3 P51677 3/20 0.42
HRH3 Q9Y5N1 2/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
CDK8 P49336 1/20 0.41
AURKB Q96GD4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MCHR1 Q99705 2/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL4714395 0.91 HRH3 (0.45) MEN1KMT2AKDRHTR2ACCR3
SCHEMBL4717277 0.89 MAPK1 (0.47) MEN1KMT2AHTR2AHTR2CHRH3
SCHEMBL4718632 0.89 MCHR1 (0.47) MEN1KMT2AKDRHTR2AHTR2C
SCHEMBL4716465 0.88 EPHX2 (0.48) KDR
SCHEMBL4717448 0.88 EPHX2 (0.46) MEN1KMT2AHTR2AHTR2CCCR3
SCHEMBL4716333 0.85 ALDH1A1 (0.49) MEN1KMT2AHTR2AHTR2CHRH3
SCHEMBL4716000 0.84 EPHX2 (0.59) KDRHTR2AHTR2CHRH3
SCHEMBL4717402 0.84 MCHR1 (0.51) MEN1KMT2AHTR2ACCR3HRH3
SCHEMBL4716494 0.83 CCR3 (0.46) KDRHTR2AHTR2CCCR3HRH3
SCHEMBL4715814 0.82 MCHR1 (0.49) HTR2AHTR2CHRH3MCHR1

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 MEN1 1088/4885KMT2A 180/4885KDR 5/4885

“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.