SCHEMBL1616319

SCHEMBL1616319

COc1cccc2c1C(Nc1ccc3c(NCc4c[nH]cn4)cccc3n1)CC2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
EGFR P00533 1/20 0.36
PFKFB3 Q16875 1/20 0.35
HTR1A P08908 12/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
DRD2 P14416 1/20 0.33
NCF1 P14598 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL1616147 0.83 MCHR1 (0.37) MCHR1PFKFB3
SCHEMBL1616456 0.82 RET (0.36) MCHR1PFKFB3
SCHEMBL1616568 0.80 ADRA1A (0.38) MCHR1PFKFB3
SCHEMBL2905912 0.77 MCHR1 (0.39) MCHR1EGFRPFKFB3HTR1ADRD2
SCHEMBL1614383 0.77 KDM4E (0.36) MCHR1PFKFB3
SCHEMBL2243192 0.76 ACHE (0.42) MCHR1EGFRPFKFB3HTR1A
SCHEMBL2242783 0.75 CYP2C19 (0.48)
SCHEMBL1616695 0.74 ALDH1A1 (0.42)
SCHEMBL2242647 0.74 ALDH1A1 (0.46) P2RX7
SCHEMBL2243251 0.74 MEN1 (0.41) P2RX7

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 7 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
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C MCHR1 292/4885EGFR 4521/4885PFKFB3 4177/4885

“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.