SCHEMBL1616740

SCHEMBL1616740

COc1cccc(COc2cccc3nc(NC4CCc5ccccc54)ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
PFKFB3 Q16875 3/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RX7 Q99572 2/20 0.43
HTR1A P08908 4/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
HPGDS O60760 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ABCB1 P08183 3/20 0.41
DRD2 P14416 2/20 0.41
CSF1R P07333 1/20 0.40
ADRA1D P25100 1/20 0.39

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
SCHEMBL1616738 1.00 EGFR (0.47) EGFRPFKFB3MAPTHTTSMN1; SMN2
SCHEMBL3407332 0.85 HPGDS (0.48) EGFRPFKFB3MAPTHTTSMN1; SMN2
SCHEMBL3403238 0.85 HPGDS (0.48) EGFRPFKFB3MAPTHTTSMN1; SMN2
SCHEMBL1616465 0.84 MAOA (0.44) EGFRPFKFB3MAPTHTTSMN1; SMN2
SCHEMBL1615467 0.84 GBA1 (0.49) EGFRPFKFB3P2RX7HTR1AMAOA
SCHEMBL1615470 0.84 GBA1 (0.49) EGFRPFKFB3P2RX7HTR1AMAOA
SCHEMBL2241636 0.84 PFKFB3 (0.54) EGFRPFKFB3P2RX7
SCHEMBL2241645 0.84 PFKFB3 (0.54) EGFRPFKFB3P2RX7
SCHEMBL2243055 0.82 NCF1 (0.49) EGFRPFKFB3P2RX7MAOB
SCHEMBL2243064 0.82 NCF1 (0.49) EGFRPFKFB3P2RX7MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US claimed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C EGFR 4521/4885PFKFB3 4177/4885MAPT 866/4885

“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.