SCHEMBL13778492

SCHEMBL13778492

Cc1cncc(-c2ccc(C(C)(C)N3CCOCC3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ PRKDC P78527 4/20 0.39
▸ ATR Q13535 2/20 0.39
▸ ATRIP Q8WXE1 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ CYP11B2 P19099 4/20 0.38
▸ CYP11B1 P15538 3/20 0.38
▸ CYP2A6 P11509 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3665692 0.85 LRRK2 (0.39) LRRK2PRKDCCYP11B2CYP11B1CYP2A6
SCHEMBL11992447 0.79 TGFBR1 (0.51) GSK3BDYRK1AIRAK4LRRK2CYP11B2
SCHEMBL3802309 0.78 LPL (0.36) IRAK4PRMT6CHEK1ACHE
SCHEMBL8354801 0.77 CYP2B6 (0.44) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL4173599 0.77 CHEK1 (0.33) PRKDCPIK3CBCHEK1ACHE
SCHEMBL23805939 0.76 CYP2B6 (0.53) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL25094279 0.74 KIF11 (0.55) CYP11B2CYP11B1CYP2A6ALDH1A1KMT2A
SCHEMBL11992427 0.74 HRH3 (0.64) GSK3BDYRK1ALRRK2ATMCYP11B2
SCHEMBL12449606 0.72 SIGMAR1 (0.50) PRKDCMEN1ALDH1A1KMT2A
SCHEMBL11992445 0.72 CYP11B2 (0.55) LRRK2CYP11B2KDM4EALDH1A1

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 GSK3B 3021/4885DYRK1A 1550/4885IRAK4 31/4885

“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.

Send feedback