SCHEMBL5873568

SCHEMBL5873568

Nc1ccc2nc(N3CCCCC3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.51
PLAU P00749 1/20 0.50
HTR3A P46098 2/20 0.48
HRH4 Q9H3N8 1/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CASP6 P55212 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
RXFP1 Q9HBX9 3/20 0.46
ALDH1A1 P00352 2/20 0.45
TERT O14746 1/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
HTR3D Q70Z44 1/20 0.43

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
SCHEMBL10568995 0.86 HRH3 (0.48) MAP4K4HTR3AHRH4POLBKDM4E
SCHEMBL5910129 0.84 HRH4 (0.68) MAP4K4PLAUHTR3AHRH4POLB
SCHEMBL3559695 0.84 GAA (0.54) PLAUHTR3AHRH4POLBKDM4E
SCHEMBL24313570 0.83 HRH3 (0.48) MAP4K4HTR3AHRH4KDM4ELMNA
SCHEMBL31373495 0.81 PLAU (0.45) PLAUHTR3AHRH4POLBKDM4E
SCHEMBL5909974 0.80 HRH3 (0.65) PLAUHTR3AHRH4POLBKDM4E
SCHEMBL25488432 0.80 RXFP1 (0.56) HTR3AHRH4HRH3RXFP1ALDH1A1
SCHEMBL29293410 0.80 HTR3A (0.72) HTR3AHRH4HRH3RXFP1TERT
SCHEMBL5780238 0.80 HTR3A (0.72) HTR3AHRH4HRH3RXFP1TERT
SCHEMBL4538081 0.78 HTR3A (0.49) MAP4K4HTR3AHRH4KDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US disclosed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R MAP4K4 1963/4885PLAU 4780/4885HTR3A 58/4885

“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.