SCHEMBL3167927

SCHEMBL3167927

O=C(CN1CCN(CC=Cc2ccccc2)CC1)Nc1cc(Cl)nc(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ANXA2 P07355 3/20 0.55
▸ S100A10 P60903 3/20 0.55
▸ LMNA P02545 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ USP2 O75604 2/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MCHR1 Q99705 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL3167906 1.00 ANXA2 (0.55) ANXA2S100A10LMNAALDH1A1MEN1
SCHEMBL3169319 0.85 ANXA2 (0.52) ANXA2S100A10LMNAALDH1A1MEN1
SCHEMBL3169308 0.85 ANXA2 (0.52) ANXA2S100A10LMNAALDH1A1MEN1
SCHEMBL3164554 0.83 ESR1 (0.60) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL3170808 0.83 ANXA2 (0.52) ANXA2S100A10LMNAALDH1A1MEN1
SCHEMBL3170804 0.83 ANXA2 (0.52) ANXA2S100A10LMNAALDH1A1MEN1
SCHEMBL3163037 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AGAAESR1
SCHEMBL3163177 0.78 ALDH1A1 (0.52) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL3163070 0.78 ESR1 (0.55) ALDH1A1MEN1KMT2AKDM4EESR1
SCHEMBL3155616 0.77 ALDH1A1 (0.50) LMNAALDH1A1MEN1KMT2AGAA

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
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
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-08-28 — — 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 (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 ANXA2 890/4885S100A10 2774/4885LMNA 3137/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 ANXA2 1275/4885S100A10 3614/4885LMNA 2940/4885

“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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