SCHEMBL6166700

SCHEMBL6166700

N=C(N)c1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-n3ccnc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.51
F9 P00740 1/20 0.51
NAMPT P43490 7/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PORCN Q9H237 2/20 0.43
DEGS1 O15121 1/20 0.42
HDAC4 P56524 1/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2D6 P10635 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL7106426 0.94 F10 (0.53) F10F9NAMPTALDH1A1LMNA
SCHEMBL6166706 0.81 NAMPT (0.45) NAMPTALDH1A1LMNAGAAHTT
SCHEMBL6163382 0.79 NAMPT (0.45) F10NAMPTALDH1A1LMNAGAA
SCHEMBL6169837 0.78 NAMPT (0.43) F10F9NAMPTALDH1A1LMNA
SCHEMBL25875923 0.75 ROCK1 (0.55) NAMPTALDH1A1LMNAGAAHTT
Trifluoroacetic Acid SCHEMBL6164329 0.74 DEGS1 (0.46) F10NAMPTALDH1A1LMNAGAA
SCHEMBL6166702 0.74 F10 (0.44) F10F9HTTHDAC4F2
SCHEMBL6166353 0.72 F10 (0.62) F10F2PRSS1
SCHEMBL6164332 0.72 F10 (0.62) F10F2PRSS1
SCHEMBL6166602 0.72 DEGS1 (0.44) F10NAMPTALDH1A1LMNAGAA

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 23/4885NAMPT 348/4885

“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.