SCHEMBL5633236

SCHEMBL5633236

Cc1nc2c(N)cccn2c1CC#N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 9/20 0.60
ATP4B P51164 9/20 0.60
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPK1 P28482 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
KMT2A Q03164 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
TSPO P30536 1/20 0.37
ALDH1A1 P00352 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8374477 0.87 ATP4A (0.46) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5633386 0.82 ATP4A (0.60) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5635529 0.81 ATP4A (0.56) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL9230991 0.78 ATP4A (0.50) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL11069625 0.75 ATP4A (0.70) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL2191115 0.75 ATP4A (1.00) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL10646302 0.75 ATP4A (0.70) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL2189557 0.75 ATP4A (0.66) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5220990 0.75 ATP4A (0.51) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL10690155 0.75 ATP4A (0.55) ATP4AATP4BMEN1CYP1A2CYP3A4

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-7196196-B2 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BASF AKTIENGESELLSCHAFT (DE) 2007-03-27 US disclosed
US-20050020620-A1 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
EP-1430052-A2 SUBSTITUTED IMIDAZO 1, 2-A]-5, 6, 7,8-TETRAHYDROPYRIDINE-8-ONES, METHOD FOR THEIR PRODUCTION AND THE USE THEREOF FOR PRODUCING IMIDAZO 1, 2-A]PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2004-06-23 EP disclosed
WO-2003024963-A2 SUBSTITUTED IMIDAZO[1, 2-A]-5, 6, 7,8-TETRAHYDROPYRIDINE-8-ONES, METHOD FOR THEIR PRODUCTION AND THE USE THEREOF FOR PRODUCING IMIDAZO[1, 2-A]PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-03-27 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-20050020620-A1 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BTN3A1, DHPS, NISCH ATP4A 2872/4885ATP4B 2849/4885MEN1 2988/4885

“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.