Sugi Predict

Sugi Predict / Compounds / SCHEMBL4559136

SCHEMBL4559136

SCHEMBL4559136

O=C(C(=O)N(F)c1ccccc1)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.50
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ REN P00797 2/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ CHRM2 P08172 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37

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
SCHEMBL4559728 0.83 SIGMAR1 (0.51) SIGMAR1POLBALDH1A1USP2TSHR
SCHEMBL4558443 0.81 SIGMAR1 (0.50) SIGMAR1POLBALDH1A1USP2TSHR
SCHEMBL4557549 0.81 SIGMAR1 (0.43) SIGMAR1POLBALDH1A1USP2TSHR
SCHEMBL4559702 0.79 SIGMAR1 (0.47) SIGMAR1POLBALDH1A1USP2TSHR
SCHEMBL4559492 0.78 SIGMAR1 (0.46) SIGMAR1POLBALDH1A1USP2TSHR
SCHEMBL4558907 0.78 ALDH1A1 (0.50) SIGMAR1POLBALDH1A1USP2TSHR
SCHEMBL4559532 0.78 SIGMAR1 (0.46) SIGMAR1POLBALDH1A1USP2TSHR
SCHEMBL7668013 0.75 SIGMAR1 (0.50) SIGMAR1POLBALDH1A1USP2TSHR
SCHEMBL5550042 0.75 SIGMAR1 (0.50) SIGMAR1POLBALDH1A1USP2TSHR
SCHEMBL4559396 0.75 SIGMAR1 (0.43) SIGMAR1POLBALDH1A1USP2TSHR

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 SIGMAR1 218/4885POLB 1210/4885ALDH1A1 2146/4885

“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.