SCHEMBL4716043

SCHEMBL4716043

O=C(Nc1nnc(Br)s1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDR P35968 7/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
TEK Q02763 4/20 0.46
PDGFRB P09619 3/20 0.45
NTRK1 P04629 3/20 0.45
RET P07949 3/20 0.45
NTRK3 Q16288 3/20 0.45
NTRK2 Q16620 3/20 0.45
CDK8 P49336 2/20 0.45
MAPK14 Q16539 2/20 0.45

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
SCHEMBL4717243 0.83 CA12 (0.49) CA12CA1CA2CA9MEN1
SCHEMBL5456041 0.79 BRAF (0.49) KDRKDM4ETEKMAPK14BLM
SCHEMBL5439929 0.79 MEN1 (0.59) CA12CA1CA2CA9MEN1
SCHEMBL4717259 0.78 KDR (0.49) CA12CA1CA2CA9KDR
SCHEMBL5444512 0.78 MEN1 (0.49) MEN1KMT2AKDRRAB9AKDM4E
SCHEMBL60100 0.76 LMNA (0.58) CA12CA1CA2CA9MEN1
SCHEMBL12118852 0.76 KDR (0.47) CA12CA1CA2CA9MEN1
SCHEMBL59556 0.74 CA12 (0.56) CA12CA1CA2CA9MEN1
SCHEMBL3879856 0.74 TEK (0.52) CA12CA1CA2CA9MEN1
SCHEMBL5444266 0.74 MEN1 (0.63) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 2 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 disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US 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 CA12 4314/4885CA1 4480/4885CA2 1960/4885

“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.