SCHEMBL3163177

SCHEMBL3163177

O=C(CN1CCC(Cc2ccccc2)CC1)Nc1cc(Cl)nc(-c2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ HTT P42858 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ ACHE P22303 1/20 0.51
▸ HPGD P15428 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SLC6A2 P23975 3/20 0.48
▸ SLC6A4 P31645 3/20 0.48
▸ ESR1 P03372 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
SCHEMBL3170320 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL3164554 0.85 ESR1 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL3163070 0.84 ESR1 (0.55) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL3163330 0.83 NPSR1 (0.48) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL3163037 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AGAANPSR1
SCHEMBL3156155 0.82 MEN1 (0.43) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL3165416 0.80 HTT (0.42) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL3155616 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL3167927 0.78 ANXA2 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL3167906 0.78 ANXA2 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465631-B1 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-02-24 — — EP disclosed
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 — — US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 — — US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 — — US disclosed
EP-1465631-A4 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-03-30 — — EP disclosed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 — — EP disclosed
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-08-28 — — US disclosed
WO-2003053366-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 — — 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 (2 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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 ALDH1A1 2146/4885MEN1 4340/4885KMT2A 2079/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 ALDH1A1 1491/4885MEN1 4670/4885KMT2A 2134/4885

“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