SCHEMBL3378802

SCHEMBL3378802

Cc1ccc2ccnc(Cl)c2n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.56
CCR5 P51681 2/20 0.56
RAB9A P51151 1/20 0.56
METAP2 P50579 1/20 0.42
BDKRB2 P30411 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PARP1 P09874 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
PMP22 Q01453 1/20 0.36
RPS6KA5 O75582 1/20 0.35
CCR8 P51685 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLO1 Q04760 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL24716239 0.78 LMNA (0.38) CCR1CCR5MAPTLMNACYP3A4
SCHEMBL17532718 0.78 CCR1 (0.61) CCR1CCR5RAB9AMETAP2MAPT
SCHEMBL30670499 0.78 LMNA (0.38) CCR1CCR5MAPTLMNACYP3A4
SCHEMBL11375597 0.75 CCR1 (0.56) CCR1CCR5RAB9AMETAP2MAPT
SCHEMBL21627043 0.75 CCR1 (0.56) CCR1CCR5RAB9AMETAP2BDKRB2
SCHEMBL30564984 0.75 CCR1 (0.56) CCR1CCR5RAB9AMETAP2MAPT
SCHEMBL13313410 0.75 CCR1 (0.56) CCR1CCR5RAB9AMETAP2MAPT
SCHEMBL17318142 0.75 LMNA (0.36) CCR1CCR5MAPTLMNACYP3A4
SCHEMBL29772209 0.75 NCF1 (0.42) MAPTLMNACYP3A4APEX1MAPK1
Neocuproine SCHEMBL4394429 0.74 CCR1 (0.88) CCR1CCR5RAB9AMETAP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101277958-B Naphthyridin derivatives HOFFMANN LA ROCHE 2011-09-07 CN disclosed
EP-1934216-B1 NAPHTHYRIDIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 EP disclosed
EP-1934216-B1 NAPHTHYRIDIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 EP disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
CN-101277958-A Naphthyridin derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed
EP-1934216-A1 NAPHTHYRIDIN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039512-A1 NAPHTHYRIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
WO-2007039512-A1 NAPHTHYRIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 US disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 US disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 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-20070078155-A1 Naphthyridin derivatives GRM5, GRM3, GRM1 CCR1 2620/4885CCR5 891/4885RAB9A 2594/4885

“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.