SCHEMBL13778294

SCHEMBL13778294

Cc1cncc(C(=O)NCCCN2CCN(C)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHF13 Q86YI8 1/20 0.56
▸ L3MBTL3 Q96JM7 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ RAD52 P43351 1/20 0.55
▸ MAPT P10636 2/20 0.53
▸ LMNA P02545 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ GFER P55789 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL178368 0.81 HSD17B10 (0.64) RAD52MAPTLMNAGAASMN1; SMN2
SCHEMBL178534 0.80 KMT2A (0.71) L3MBTL1RAD52MAPTLMNAGAA
SCHEMBL13632449 0.80 POLB (0.62) ALDH1A1KDM4EPOLB
SCHEMBL4150303 0.79 LMNA (0.50) PHF13L3MBTL3L3MBTL1RAD52MAPT
SCHEMBL13778300 0.78 KDM4E (0.56) GAASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL31246006 0.78 MAPT (0.63) RAD52MAPTLMNAGAASMN1; SMN2
SCHEMBL28240023 0.76 MAPT (0.61) RAD52MAPTLMNAGAASMN1; SMN2
SCHEMBL10720723 0.76 HSD17B10 (0.68) L3MBTL1RAD52MAPTLMNAGAA
SCHEMBL31245936 0.76 MAPT (0.61) RAD52MAPTLMNAGAASMN1; SMN2
SCHEMBL13182960 0.76 ALDH1A1 (0.59) MAPTLMNAGAASMN1; SMN2ALDH1A1

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-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

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 PHF13 1160/4885L3MBTL3 2682/4885L3MBTL1 2031/4885

“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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