SCHEMBL3665692

SCHEMBL3665692

CC(C)(c1ccc(-c2cncc(Br)c2)cc1)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.39
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP2A6 P11509 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PRKDC P78527 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL13778492 0.85 GSK3B (0.41) LRRK2CYP11B1CYP11B2CYP2A6KDM4E
SCHEMBL578326 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRMEN1MAPT
SCHEMBL3378512 0.77 MAPT (0.52) LRRK2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3802309 0.77 LPL (0.36) PRMT6CHEK1ACHE
SCHEMBL4173599 0.76 CHEK1 (0.33) CHEK1ACHEPIK3CDPRKDCRAB9A
SCHEMBL23805939 0.75 CYP2B6 (0.53) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3669623 0.73 HRH3 (0.64) LRRK2HSD17B10PRMT6CHEK1ACHE
SCHEMBL4154461 0.72 CYP2A6 (0.49) CYP11B1CYP11B2CYP2A6PGR
SCHEMBL12449606 0.71 SIGMAR1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2PRKDC
SCHEMBL8354801 0.70 CYP2B6 (0.44) ALDH1A1SMN1; SMN2TSHRMEN1RAB9A

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
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 — — CN disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 — — EP 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 LRRK2 1586/4885CYP11B1 1713/4885CYP11B2 1994/4885

“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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