SCHEMBL4371640

SCHEMBL4371640

O=C(O)NCCNC(=O)NC1CCN(c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
DRD2 P14416 4/20 0.53
LMNA P02545 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADORA2A P29274 1/20 0.47

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
SCHEMBL1908712 0.89 ALDH1A1 (0.53) ALDH1A1DRD2LMNACA12CA1
SCHEMBL359301 0.89 ALDH1A1 (0.53) ALDH1A1DRD2LMNACA12CA1
SCHEMBL4233864 0.88 ALDH1A1 (0.54) ALDH1A1DRD2LMNACA12CA1
SCHEMBL3156635 0.88 ALDH1A1 (0.54) ALDH1A1DRD2LMNACA12CA1
Hydrochloric Acid SCHEMBL2891561 0.87 ALDH1A1 (0.53) ALDH1A1DRD2LMNACA12CA1
SCHEMBL1908728 0.85 ALDH1A1 (0.51) ALDH1A1DRD2LMNACA12CA1
SCHEMBL2001966 0.85 ALDH1A1 (0.60) ALDH1A1DRD2LMNACA12CA1
Trifluoroacetic Acid SCHEMBL2889125 0.84 DPP4 (0.50) ALDH1A1DRD2LMNACA12CA1
SCHEMBL1912307 0.84 LMNA (0.52) ALDH1A1DRD2LMNACA12CA1
SCHEMBL4377986 0.84 GPR119 (0.55) ALDH1A1DRD2LMNACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292604-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES Pfizer Limited (GB) 2003-03-19 EP claimed
WO-2001094368-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-12-13 WO claimed
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
CN-100374454-C 2-aminocarbonyl-9h-purine derivatives HURI DRUG PLANT (US) 2008-03-12 CN disclosed
US-7094769-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC (US) 2006-08-22 US disclosed
CN-1810822-A 2-aminocarbonyl-9h-purine derivatives PFIZER (US) 2006-08-02 CN disclosed
US-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2006-06-08 US disclosed
CN-1249074-C 2-aminocarbonyl-9H-purine derivatives PFIZER LTD (US) 2006-04-05 CN disclosed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 US disclosed
CN-1434830-A 2-aminocarbonyl-9H-purine derivatives PFIZER LTD (US) 2003-08-06 CN disclosed
EP-1292604-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES Pfizer Limited (GB) 2003-03-19 EP disclosed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US disclosed
WO-2001094368-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-12-13 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 (3 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-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ALDH1A1 533/4885DRD2 582/4885LMNA 744/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ALDH1A1 385/4885DRD2 671/4885LMNA 799/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 ALDH1A1 245/4885DRD2 748/4885LMNA 859/4885

“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.