Sugi Predict

Sugi Predict / Compounds / SCHEMBL6965088

SCHEMBL6965088

SCHEMBL6965088

Cc1ccc(C2CNCCN2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ ADRB1 P08588 1/20 0.36
▸ BMPR1B O00238 2/20 0.34
▸ PDGFRB P09619 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ ACVR1B P36896 2/20 0.34
▸ TGFBR1 P36897 2/20 0.34
▸ TGFBR2 P37173 2/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ACVRL1 P37023 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
SCHEMBL9786097 1.00 HTR2A (0.37) HTR2AHTR2CHTR2BADRB1BMPR1B
SCHEMBL18724604 0.85 HTR2A (0.43) HTR2AHTR2CHTR2BADRB1SLC6A2
Hydrochloric Acid SCHEMBL4030389 0.83 HTR2C (0.43) HTR2AHTR2CHTR2BBMPR1BPDGFRB
SCHEMBL9786119 0.79 MAPT (0.43) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL1639188 0.79 MAPT (0.43) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL25289102 0.77 HTR2C (0.53) HTR2AHTR2CHTR2BADRB1SLC6A3
SCHEMBL27980841 0.77 HTR2C (0.53) HTR2AHTR2CHTR2BADRB1SLC6A3
SCHEMBL31056427 0.77 CTSL (0.38) SLC6A2SLC6A3SLC6A4CTSLCTSB
SCHEMBL29325641 0.77 CTSL (0.38) SLC6A2SLC6A3SLC6A4CTSLCTSB
SCHEMBL3333762 0.76 L3MBTL1 (0.53) CYP2D6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189903-B1 NOVEL BENZO[F]NAPHTHYRIDINE, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-28 — — EP disclosed
US-6566362-B2 Use as topical antibiotics AVENTIS PHARMA S.A. (FR) 2003-05-20 — — US disclosed
US-20020137741-A1 Benzo[f]naphthyridine derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. (FR) 2002-09-26 — — US disclosed
EP-1189903-A1 NOVEL BENZO F]NAPHTHYRIDINE, PREPARATION AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2002-03-27 — — EP disclosed
WO-2001002396-A1 NOVEL BENZO[F]NAPHTHYRIDINE, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2001-01-11 — — WO disclosed
US-5053509-A Microbiocides; AIDS LABORATOIRE ROGER BELLON (FR) 1991-10-01 — — US 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-20020137741-A1 Benzo[f]naphthyridine derivatives, their preparation and compositions containing them KCNQ2, KCNQ1, KCNQ4 HTR2A 1139/4885HTR2C 1278/4885HTR2B 1381/4885

“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.