SCHEMBL4558907

SCHEMBL4558907

CCN(C(=O)C(=O)N1CCNCC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
GLA P06280 1/20 0.50
SIGMAR1 Q99720 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 1/20 0.41
TP53 P04637 1/20 0.41
REN P00797 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL4558443 0.84 SIGMAR1 (0.50) ALDH1A1TSHRSIGMAR1KMT2APOLB
SCHEMBL4558670 0.80 ALDH1A1 (0.50) ALDH1A1TSHRGLASIGMAR1MEN1
SCHEMBL4559396 0.80 SIGMAR1 (0.43) ALDH1A1TSHRSIGMAR1KMT2APOLB
SCHEMBL4559728 0.79 SIGMAR1 (0.51) ALDH1A1TSHRSIGMAR1KMT2APOLB
SCHEMBL4559702 0.78 SIGMAR1 (0.47) ALDH1A1TSHRSIGMAR1KMT2APOLB
SCHEMBL4559136 0.78 SIGMAR1 (0.50) ALDH1A1TSHRSIGMAR1POLBOPRD1
SCHEMBL4559532 0.77 SIGMAR1 (0.46) ALDH1A1TSHRSIGMAR1KMT2APOLB
SCHEMBL4421969 0.76 TACR1 (0.53) ALDH1A1SIGMAR1MEN1KMT2ATP53
SCHEMBL1185690 0.76 ALDH1A1 (0.76) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL4559492 0.74 SIGMAR1 (0.46) ALDH1A1TSHRSIGMAR1POLBOPRD1

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 ALDH1A1 2146/4885TSHR 68/4885GLA 4781/4885

“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.