SCHEMBL4457667

SCHEMBL4457667

COc1ccc(C(c2ccc(F)cc2)N(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ELOVL1 Q9BW60 1/20 0.38
GPR55 Q9Y2T6 3/20 0.37
RPS6KA3 P51812 1/20 0.37
POLB P06746 3/20 0.36
CYP19A1 P11511 1/20 0.36
KCNA5 P22460 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RPS6KB1 P23443 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
KRAS P01116 1/20 0.33
SOS1 Q07889 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33

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
SCHEMBL4469601 0.90 KCNA5 (0.42) KMT2AMEN1USP2RPS6KA3POLB
SCHEMBL4456687 0.88 POLB (0.39) KMT2AMEN1USP2ELOVL1GPR55
SCHEMBL4472165 0.84 CYP19A1 (0.45) CYP19A1KCNA5OXTRAVPR1A
SCHEMBL4457212 0.84 KCNA5 (0.42) KMT2APOLBCYP19A1KCNA5ALDH1A1
SCHEMBL4454542 0.82 CYP19A1 (0.45) KMT2AMEN1CYP19A1KCNA5LMNA
SCHEMBL4461835 0.81 CYP19A1 (0.40) KMT2APOLBCYP19A1KCNA5ALDH1A1
SCHEMBL14435025 0.79 KCNA5 (0.38) CYP19A1KCNA5OXTR
SCHEMBL4466454 0.79 CYP19A1 (0.48) CYP19A1KCNA5OXTRAVPR1A
SCHEMBL4472869 0.79 CYP19A1 (0.48) CYP19A1KCNA5OXTRAVPR1A
SCHEMBL5136333 0.79 KCNA5 (0.37) KMT2AMEN1USP2POLBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 KMT2A 130/4885MEN1 1188/4885USP2 3830/4885

“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.