SCHEMBL2077090

SCHEMBL2077090

O=C1Nc2cc(F)ccc2C1c1ncnc2c1cnn2-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SLC2A1 P11166 7/20 0.48
SLC2A3 P11169 7/20 0.48
SLC2A2 P11168 3/20 0.48
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EGFR P00533 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
LMNA P02545 2/20 0.43

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
SCHEMBL2078604 0.92 KDM4E (0.46) KDM4EMAPTNPC1RAB9ASLC2A1
SCHEMBL2303695 0.87 XDH (0.47) KDM4EMAPTNPC1RAB9ASLC2A1
SCHEMBL2075111 0.85 SLC2A1 (0.50) KDM4EMAPTNPC1RAB9ASLC2A1
SCHEMBL2075107 0.82 ALDH1A1 (0.46) KDM4EMAPTNPC1RAB9ASLC2A1
SCHEMBL2077453 0.82 MAPT (0.46) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL2078498 0.82 XDH (0.47) KDM4EMAPTNPC1RAB9ASLC2A1
SCHEMBL3780063 0.80 SLC2A1 (0.48) KDM4EMAPTNPC1RAB9ASLC2A1
SCHEMBL2077112 0.79 ABL1 (0.38) SLC2A1SLC2A3SLC2A2EGFRTP53
SCHEMBL2077088 0.78 ABL1 (0.39) MAPTSLC2A1SLC2A3SLC2A2LMNA
SCHEMBL2075687 0.78 ABL1 (0.41) MAPTKMT2ALMNATP53NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 KDM4E 3148/4885MAPT 620/4885NPC1 2842/4885

“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.