SCHEMBL4477912

SCHEMBL4477912

O=C1CCCc2ccccc2N1Cc1cccc(N2CCNCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
CYP1A2 P05177 3/20 0.63
CYP2C9 P11712 3/20 0.63
CYP2C19 P33261 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
GAA P10253 1/20 0.63
POLB P06746 3/20 0.51
HTR6 P50406 2/20 0.48
DRD2 P14416 6/20 0.47
DRD4 P21917 6/20 0.47
DRD3 P35462 6/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB2 P07550 1/20 0.45

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
SCHEMBL4468502 0.93 POLB (0.60) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL13960741 0.82 MEN1 (0.57) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL14202129 0.81 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4486014 0.80 POLB (0.57) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4492877 0.79 POLB (0.53) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4483596 0.79 POLB (0.53) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4477967 0.78 MEN1 (0.53) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL30905277 0.78 POLB (0.82) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4464670 0.78 POLB (0.51) MEN1KMT2APOLBHTR6DRD2
SCHEMBL4476360 0.77 MEN1 (0.73) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603880-B1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-05-07 EP claimed
EP-1603880-A1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-12-14 EP claimed
US-6943169-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-09-13 US claimed
WO-2004080969-A1 QUINOLINONE / BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO claimed
US-20040186092-A1 Quinolinone derivaties and uses thereof ROCHE PALO ALTO LLC 2004-09-23 US claimed
US-7476675-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-13 US disclosed
US-7476675-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-13 US disclosed
US-7476675-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-13 US disclosed
EP-1603880-B1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed
EP-1603880-B1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed
EP-1603880-A1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-12-14 EP disclosed
US-20050261308-A1 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-11-24 US disclosed
US-6943169-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-09-13 US disclosed
WO-2004080969-A1 QUINOLINONE / BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO disclosed
US-20040186092-A1 Quinolinone derivaties and uses thereof ROCHE PALO ALTO LLC 2004-09-23 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 (2 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-20040186092-A1 Quinolinone derivaties and uses thereof NQO2, UGT1A8, UGT1A1 MEN1 433/4885KMT2A 935/4885CYP1A2 39/4885
US-20050261308-A1 Quinolinone derivatives and uses thereof RECQL, NQO2, QRFPR MEN1 496/4885KMT2A 1510/4885CYP1A2 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.