SCHEMBL4745669

SCHEMBL4745669

COC(=O)c1cncc(Oc2ccc(N)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
BRCA1 P38398 1/20 0.50
HBB P68871 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.45
GRM5 P41594 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
USP2 O75604 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
SIRT3 Q9NTG7 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX3 P56373 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
SCHEMBL3640462 0.84 KDM4E (0.64) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL2891300 0.83 ATM (0.51) ALDH1A1ATMGRM5CYP11B1CYP11B2
SCHEMBL1589066 0.83 LMNA (0.65) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL4743662 0.80 HSPB1 (0.51) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL2902163 0.78 ATM (0.46) ALDH1A1LMNAATMGRM5CYP11B1
SCHEMBL619879 0.78 LMNA (0.61) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL4744314 0.77 CYP11B1 (0.49) ATMGRM5CYP11B1CYP11B2SIRT2
SCHEMBL6472639 0.77 USP2 (0.47) ALDH1A1ATMGRM5CYP11B1CYP11B2
SCHEMBL4741655 0.76 LMNA (0.42) ALDH1A1LMNAATMRAB9AGRM5
SCHEMBL23797957 0.75 KEAP1 (0.49) KDM4EMEN1KMT2AALDH1A1BRCA1

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
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 KDM4E 1909/4885MEN1 2447/4885KMT2A 2789/4885

“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.