SCHEMBL13778300

SCHEMBL13778300

Cc1cncc(C(=O)NCCCO)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.56
▸ POLB P06746 5/20 0.56
▸ GAA P10253 1/20 0.56
▸ ATM Q13315 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HCAR2 Q8TDS4 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ SMYD3 Q9H7B4 2/20 0.49
▸ PKM P14618 1/20 0.46
▸ KDR P35968 1/20 0.45

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
SCHEMBL13852632 0.90 HCAR2 (0.53) KDM4EPOLBGAAATMALDH1A1
SCHEMBL13778271 0.87 KDM4E (0.52) KDM4EPOLBGAAATMALDH1A1
SCHEMBL13182960 0.85 ALDH1A1 (0.59) KDM4EPOLBGAAATMALDH1A1
SCHEMBL13852610 0.84 HCAR2 (0.53) KDM4EPOLBGAAATMALDH1A1
SCHEMBL16133036 0.82 KDM4E (0.54) KDM4EPOLBGAAATMALDH1A1
SCHEMBL6393265 0.81 POLB (0.67) KDM4EPOLBGAAATMALDH1A1
SCHEMBL16132011 0.81 ATM (0.58) KDM4EPOLBGAAATMALDH1A1
SCHEMBL5426126 0.80 HCAR2 (0.56) KDM4EPOLBGAAATMALDH1A1
SCHEMBL13778268 0.80 SMN1; SMN2 (0.51) KDM4EPOLBGAAATMALDH1A1
SCHEMBL12513599 0.79 DRD2 (0.55) KDM4EPOLBGAAATMALDH1A1

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-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 — — US disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 — — US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 — — US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 — — US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 — — 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 KDM4E 448/4885POLB 2234/4885GAA 2621/4885

“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.

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