SCHEMBL4408548

SCHEMBL4408548

CCOc1nc(NCc2ccc(F)cc2)nc2ncc(-c3ccc(F)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MET P08581 4/20 0.40
NOS1 P29475 1/20 0.40
AURKA O14965 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT3 P36888 1/20 0.40
MAPK8 P45983 1/20 0.40
CDK8 P49336 1/20 0.40
MAP2K1 Q02750 1/20 0.40
MAP4K2 Q12851 1/20 0.40
ROCK1 Q13464 1/20 0.40
NTRK3 Q16288 1/20 0.40
MAPK14 Q16539 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
SCHEMBL4408652 0.91 CA1 (0.53) PTGS2PTGS1CA1CA2CA9
SCHEMBL4415363 0.85 KCNH3 (0.39) MAPTTP53ADORA2ATDP1PTGS2
SCHEMBL5123850 0.83 MAPT (0.43) MAPTMETAURKAABL1NTRK1
SCHEMBL3787119 0.82 KCNH3 (0.39) MAPTPTGS2KDM4EMEN1ALDH1A1
SCHEMBL4408579 0.80 NOS1 (0.50) METNOS1MPO
SCHEMBL5114670 0.78 MAPT (0.40) MAPTMETAURKAABL1NTRK1
SCHEMBL4573442 0.78 TP53 (0.47) MAPTNTRK1MAPK14TP53ADORA2A
SCHEMBL5121004 0.78 MKNK1 (0.39) MAPTMETAURKAABL1NTRK1
SCHEMBL4573402 0.78 MAPT (0.53) MAPTTP53ADORA2AMEN1KMT2A
SCHEMBL3782046 0.77 MPO (0.45) MAPTMAPK14TP53ADORA2APTGS2

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-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
US-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
US-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
WO-2008003149-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES , INC. (US) 2008-01-10 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-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HAVCR2, TYMP, HCCS MAPT 4265/4885MET 1865/4885NOS1 3411/4885

“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.