Sugi Predict

Sugi Predict / Compounds / SCHEMBL1720380

SCHEMBL1720380

SCHEMBL1720380

Cn1c(-c2ccc(C(F)(F)F)cc2)nc(-c2cnc(N)nc2)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.43
▸ FEN1 P39748 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ KCNH2 Q12809 6/20 0.42
▸ ATR Q13535 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ L3MBTL3 Q96JM7 4/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ MET P08581 2/20 0.39
▸ ACACB O00763 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ MBTD1 Q05BQ5 1/20 0.38
▸ TP53BP1 Q12888 1/20 0.38
▸ L3MBTL4 Q8NA19 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
SCHEMBL1719259 0.92 PIK3CA (0.43) HRH3KCNH2ATRL3MBTL3L3MBTL1
SCHEMBL1719312 0.92 HRH3 (0.44) HRH3KCNH2STAT3L3MBTL3L3MBTL1
SCHEMBL1716978 0.90 HRH3 (0.42) HRH3KCNH2STAT3L3MBTL3L3MBTL1
SCHEMBL1720130 0.89 HRH3 (0.41) HRH3KCNH2STAT3L3MBTL3L3MBTL1
SCHEMBL1719474 0.89 HRH3 (0.41) HRH3STAT3L3MBTL3L3MBTL1ACACB
SCHEMBL1719038 0.85 CYP2C9 (0.49) L3MBTL3L3MBTL1ACACBACACAMBTD1
SCHEMBL1719915 0.83 L3MBTL3 (0.43) L3MBTL3L3MBTL1ACACBACACATRPV1
SCHEMBL1719569 0.81 PIK3CD (0.44) HRH3KCNH2L3MBTL3L3MBTL1MBTD1
SCHEMBL1720478 0.80 CYP2C9 (0.46) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1720677 0.80 L3MBTL3 (0.42) KCNH2L3MBTL3L3MBTL1MBTD1TP53BP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687844-B Imidazole derivatives as CCR2 receptor antagonists HOFFMANN LA ROCHE 2013-11-13 — — CN disclosed
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 — — EP disclosed
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 — — EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 — — US disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 — — US disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 — — US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 — — US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 — — US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 — — US disclosed
WO-2009003861-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 — — 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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 ALOX5AP 3989/4885FEN1 2584/4885HRH3 38/4885

“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.