SCHEMBL6166702

SCHEMBL6166702

N=C(N)c1cccc(C2CC2(C(N)=O)c2ccc(-n3ccnc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.44
F9 P00740 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
CYP4Z1 Q86W10 1/20 0.40
F2 P00734 1/20 0.40
CYP3A4 P08684 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
HDAC4 P56524 1/20 0.39
GFER P55789 1/20 0.38
ADH5 P11766 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
HDAC1 Q13547 1/20 0.36
ROCK2 O75116 2/20 0.36
CHRNA7 P36544 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6166705 0.82 HTR2A (0.39) HTR2AHTR2CHTR2BCYP4Z1CYP3A4
SCHEMBL6163390 0.78 NR1I2 (0.36) F10F2
SCHEMBL6164084 0.74 F10 (0.43) F10
SCHEMBL6166700 0.74 F10 (0.51) F10F9HTR2AHTR2CHTR2B
SCHEMBL6162361 0.71 F10 (0.39) F10
SCHEMBL6164335 0.71 F10 (0.56) F10
SCHEMBL6163520 0.70 F10 (0.48) F10F2
Trifluoroacetic Acid SCHEMBL7106426 0.69 F10 (0.53) F10F9F2CYP3A4HDAC4
SCHEMBL27374956 0.69 CYP3A4 (0.60) HTR2AHTR2CHTR2BF2CYP3A4
SCHEMBL6162862 0.68 F10 (0.48) F10

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
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI F10 11/4885F9 23/4885HTR2A 1888/4885

“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.