SCHEMBL3669623

SCHEMBL3669623

Brc1cncc(-c2ccc(CN3CCOCC3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.64
▸ PRMT6 Q96LA8 1/20 0.58
▸ JAK2 O60674 1/20 0.49
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ USP2 O75604 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ LRRK2 Q5S007 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 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
SCHEMBL3721452 0.85 CNR1 (0.60) HRH3PRMT6CNR1CNR2HTT
SCHEMBL11992427 0.83 HRH3 (0.64) HRH3PRMT6JAK2DRD2DRD4
SCHEMBL29934322 0.82 HRH3 (0.47) HRH3PRMT6CNR1CNR2HTT
SCHEMBL114033 0.82 HRH3 (0.47) HRH3PRMT6CNR1CNR2HTT
SCHEMBL13783890 0.82 HRH3 (0.82) HRH3JAK2HTTSMN1; SMN2USP2
SCHEMBL3662134 0.80 PIK3CD (0.45) HRH3PRMT6DRD2DRD4DRD3
SCHEMBL3378512 0.80 MAPT (0.52) DRD2DRD4DRD3CHEK1SMN1; SMN2
SCHEMBL14910476 0.78 NPC1 (0.61) HRH3ACHETSHRNPC1RAB9A
SCHEMBL27871217 0.78 PRMT6 (0.61) HRH3PRMT6JAK2DRD2DRD4
SCHEMBL21551034 0.77 HRH3 (0.63) HRH3JAK2CNR1CNR2HTT

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 HRH3 977/4885PRMT6 1956/4885JAK2 9/4885

“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