SCHEMBL4558440

SCHEMBL4558440

Cc1ccccc1NC(=O)C(=O)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
HPGD P15428 2/20 0.47
ABCC1 P33527 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL4559855 0.89 POLB (0.53) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL1221514 0.85 POLB (0.60) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4559727 0.84 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4559701 0.83 ABCC1 (0.54) RAB9ASMN1; SMN2KMT2AALDH1A1L3MBTL1
SCHEMBL4558906 0.83 CCNC (0.52) SMN1; SMN2KMT2AALDH1A1L3MBTL1CCNC
SCHEMBL25357117 0.82 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4559135 0.82 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4559529 0.82 KMT2A (0.78) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4559491 0.79 TAS1R3 (0.50) SMN1; SMN2KMT2AALDH1A1L3MBTL1ABCC1
SCHEMBL4559394 0.79 KMT2A (0.57) KMT2AALDH1A1L3MBTL1POLBLMNA

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 NPC1 1550/4885RAB9A 4250/4885SMN1; SMN2 2019/4885

“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.