SCHEMBL12352575

SCHEMBL12352575

CNCCc1cn(C(C)=O)c2ccc(OC)cc12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.69
MTNR1B P49286 6/20 0.60
NQO2 P16083 1/20 0.60
AKR1C3 P42330 7/20 0.59
HTR6 P50406 2/20 0.57
AKR1C2 P52895 2/20 0.52
HDAC3 O15379 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HTR2A P28223 1/20 0.48
ROCK1 Q13464 1/20 0.48
AKR1C4 P17516 1/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL3224617 0.89 MTNR1A (0.76) MTNR1AMTNR1BNQO2AKR1C3HDAC3
SCHEMBL24878466 0.85 HTR6 (0.53) MTNR1AMTNR1BNQO2AKR1C3HTR6
SCHEMBL1971963 0.85 MTNR1A (0.72) MTNR1AMTNR1BNQO2AKR1C3HTR6
SCHEMBL24878461 0.83 AKR1C3 (0.53) MTNR1AMTNR1BNQO2AKR1C3HTR6
SCHEMBL24877705 0.82 MTNR1A (0.80) MTNR1AHTR6
SCHEMBL30485879 0.82 MTNR1A (0.80) MTNR1AHTR6
SCHEMBL5616413 0.81 MTNR1A (1.00) MTNR1AMTNR1BNQO2AKR1C3HTR6
SCHEMBL24878072 0.80 HTR6 (0.57) MTNR1AMTNR1BNQO2AKR1C3HTR6
SCHEMBL24878038 0.79 HTR6 (0.49) MTNR1AMTNR1BNQO2AKR1C3HTR6
SCHEMBL28920689 0.79 AKR1C3 (0.55) MTNR1AMTNR1BNQO2AKR1C3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US disclosed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 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-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK MTNR1A 4177/4885MTNR1B 3437/4885NQO2 1377/4885

“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.