SCHEMBL4522294

SCHEMBL4522294

CC(=O)Nc1ccc(-c2ccc3nc(N)nc(OCC(F)(F)F)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 4/20 0.43
PRNP P04156 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
XDH P47989 1/20 0.39
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
AKT3 Q9Y243 2/20 0.39
JAK2 O60674 2/20 0.38
JAK3 P52333 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GHSR Q92847 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
SCHEMBL4522465 0.87 MEN1 (0.46) PIK3CAMEN1KMT2AKDM4EPRNP
SCHEMBL4522286 0.85 KMT2A (0.40) MEN1KMT2AKDM4EPRNPPOLB
SCHEMBL4521670 0.84 MEN1 (0.44) PIK3CAMEN1KMT2AKDM4EPRNP
SCHEMBL4526331 0.83 MEN1 (0.42) MEN1KMT2AKDM4EPRNPPOLB
SCHEMBL3340067 0.82 MAPK10 (0.43) PIK3CAGHSR
SCHEMBL4526222 0.81 KDM4E (0.44) KDM4EGAAMAPTALDH1A1ADORA2A
SCHEMBL4521804 0.81 KMT2A (0.43) PIK3CAMEN1KMT2AKDM4EPRNP
SCHEMBL4521666 0.79 KMT2A (0.42) MEN1KMT2AKDM4EPRNPPOLB
SCHEMBL823746 0.78 PDE4A (0.38) PIK3CAMEN1KMT2AKDM4EPOLB
Morpholine SCHEMBL4526766 0.78 MTOR (0.40) MEN1KMT2AKDM4EPRNPPOLB

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-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO PIK3CA 609/4885MEN1 4755/4885KMT2A 4257/4885

“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.