SCHEMBL4103141

SCHEMBL4103141

CCc1nc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Cl)c2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
GPR119 Q8TDV5 3/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC4 P56524 1/20 0.43
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
KCNH2 Q12809 1/20 0.43
DGAT1 O75907 1/20 0.43
PGK1 P00558 1/20 0.43
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL5599216 0.90 KMT2A (0.44) KMT2AMEN1NR1H2NR1H3GPR119
SCHEMBL31143032 0.89 GPR119 (0.50) KMT2AMEN1NR1H2NR1H3GPR119
SCHEMBL31142883 0.88 NR1H2 (0.44) KMT2AMEN1NR1H2NR1H3GPR119
SCHEMBL31142932 0.87 NR1H2 (0.43) KMT2AMEN1NR1H2NR1H3GPR119
SCHEMBL4105723 0.86 DGAT1 (0.47) KMT2AMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL31143010 0.85 NR1H2 (0.42) KMT2AMEN1NR1H2NR1H3GPR119
SCHEMBL16000820 0.84 NR1H2 (0.50) KMT2AMEN1NR1H2NR1H3GPR119
SCHEMBL16000813 0.82 TRPV1 (0.45) KMT2AGPR119CYP1A2CYP2D6CYP2C9
SCHEMBL13977517 0.81 NR1H2 (0.47) KMT2AMEN1NR1H2NR1H3GPR119
SCHEMBL4105909 0.81 MEN1 (0.49) KMT2AMEN1NR1H2NR1H3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 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 (2 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 KMT2A 4642/4885MEN1 2888/4885NR1H2 1350/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 KMT2A 4406/4885MEN1 2007/4885NR1H2 2245/4885

“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.