SCHEMBL6203397

SCHEMBL6203397

Nc1ccnc2ccc(NC=O)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.51
NCF1 P14598 1/20 0.44
SMYD3 Q9H7B4 2/20 0.41
OPRL1 P41146 1/20 0.41
SOS2 Q07890 1/20 0.40
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
LIMK1 P53667 3/20 0.38
DOT1L Q8TEK3 2/20 0.37
TERT O14746 1/20 0.37
MEN1 O00255 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
GNG2 P59768 2/20 0.36
GNB1 P62873 2/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL27768402 0.75 KMT2A (0.50) MEN1KMT2AMAPT
SCHEMBL6201297 0.75 NR4A2 (0.56) NR4A2NCF1SMYD3SOS2MEN1
SCHEMBL5356714 0.74 MAP4K4 (0.55) NR4A2SMYD3OPRL1MEN1KMT2A
SCHEMBL4823097 0.71 NR4A2 (0.66) NR4A2NCF1SMYD3SOS2MEN1
SCHEMBL30210360 0.71 NR4A2 (0.66) NR4A2NCF1SMYD3SOS2MEN1
SCHEMBL6309385 0.71 NR4A2 (0.51) NR4A2NCF1SMYD3OPRL1SOS2
SCHEMBL10133307 0.70 NPC1 (0.61) MEN1KMT2AALOX15LMNAHSP90AA1
SCHEMBL28309629 0.70 IP6K1 (0.57) ALOX15
Bromide SCHEMBL5989384 0.70 NR4A2 (0.63) NR4A2NCF1SMYD3SOS2MEN1
SCHEMBL28321402 0.69 ALDH1A1 (0.44) CCNE2CDK4CCND1CCNE1CDK2

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
EP-1451156-A4 4-AMINOQUINOLINE COMPOUNDS MERCK & CO INC (US) 2005-05-25 EP disclosed
US-20050009815-A1 4-Aminoquinoline compounds DEVITA ROBERT J (US) 2005-01-13 US disclosed
EP-1451156-A1 4-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045920-A1 4-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-20050009815-A1 4-Aminoquinoline compounds MCHR1, MCHR2, MC5R NR4A2 2037/4885NCF1 4005/4885SMYD3 2633/4885

“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.