SCHEMBL2967449

SCHEMBL2967449

Cn1c(=O)c2c(ncn2Cc2ccccc2)n(COC(=O)C(C)(C)C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.62
PDE1B Q01064 1/20 0.62
PDE1C Q14123 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
RXFP1 Q9HBX9 2/20 0.61
ADORA2B P29275 1/20 0.61
POLB P06746 1/20 0.56
HIF1A Q16665 1/20 0.56
ABCC8 Q09428 1/20 0.53
KCNJ11 Q14654 1/20 0.53
ALDH1A1 P00352 3/20 0.50
GLA P06280 1/20 0.50
HTT P42858 1/20 0.50
UBE2N P61088 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.48

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
SCHEMBL5718879 0.92 POLB (0.65) PDE1APDE1BPDE1CSMN1; SMN2RXFP1
SCHEMBL2957710 0.92 ALDH1A1 (0.57) PDE1APDE1BPDE1CSMN1; SMN2RXFP1
SCHEMBL2961214 0.89 POLB (0.64) PDE1APDE1BPDE1CSMN1; SMN2RXFP1
SCHEMBL13217673 0.85 PDE4A (0.62) SMN1; SMN2ADORA2B
SCHEMBL6380787 0.85 ALDH1A1 (0.48) PDE1APDE1BPDE1CSMN1; SMN2RXFP1
SCHEMBL6380785 0.85 KMT2A (0.52) PDE1APDE1BPDE1CSMN1; SMN2RXFP1
SCHEMBL13652739 0.84 RAB9A (0.52) PDE1APDE1BPDE1CSMN1; SMN2RXFP1
SCHEMBL6381756 0.83 PDE1A (0.61) PDE1APDE1BPDE1CSMN1; SMN2RXFP1
SCHEMBL2957435 0.82 PDE4A (0.48) SMN1; SMN2ADORA2B
SCHEMBL2952786 0.82 BRD4 (0.59) POLBALDH1A1MAPK1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 US 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 (5 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 PDE1A 3914/4885PDE1B 3962/4885PDE1C 4329/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 PDE1A 4402/4885PDE1B 4109/4885PDE1C 4546/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 PDE1A 457/4885PDE1B 265/4885PDE1C 582/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 PDE1A 3470/4885PDE1B 2740/4885PDE1C 4220/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 PDE1A 3470/4885PDE1B 2740/4885PDE1C 4220/4885

“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.