SCHEMBL4559855

SCHEMBL4559855

Cc1cccc(NC(=O)C(=O)N2CCNCC2)c1C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB1 P08588 1/20 0.44
MAPT P10636 1/20 0.44
PPARG P37231 1/20 0.43
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL4558440 0.89 NPC1 (0.57) POLBNPC1RAB9AKMT2AALDH1A1
SCHEMBL6015071 0.86 NPC1 (0.60) POLBNPC1RAB9AHTTKMT2A
SCHEMBL4559727 0.78 SMN1; SMN2 (0.52) POLBNPC1RAB9AHTTKMT2A
SCHEMBL4559701 0.78 ABCC1 (0.54) POLBRAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL4558906 0.78 CCNC (0.52) POLBHTTKMT2AALDH1A1L3MBTL1
SCHEMBL4557548 0.78 SMN1; SMN2 (0.46) POLBNPC1RAB9AKMT2AALDH1A1
SCHEMBL4559135 0.77 SMN1; SMN2 (0.51) POLBNPC1RAB9AKMT2AALDH1A1
SCHEMBL1080002 0.77 MEN1 (0.65) POLBKMT2AALDH1A1MAPT
SCHEMBL4559529 0.77 KMT2A (0.78) POLBNPC1RAB9AKMT2AALDH1A1
SCHEMBL21568076 0.77 NPC1 (0.69) POLBNPC1RAB9AHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 POLB 1210/4885NPC1 1550/4885RAB9A 4250/4885

“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.