SCHEMBL2201142

SCHEMBL2201142

Cc1nn(C)c2nc(-c3ccccc3F)nc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.40
PDE5A O76074 4/20 0.37
PDE10A Q9Y233 3/20 0.37
PDE2A O00408 2/20 0.37
HSD11B1 P28845 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL12509854 0.87 PDE5A (0.39) PDE5APDE10APDE2ALMNAATM
SCHEMBL2200829 0.82 PDE5A (0.45) DHPSPDE5AHSD11B1LMNAKDM4E
SCHEMBL14461773 0.81 PDE5A (0.38) PDE5APDE10APDE2ALMNAATM
SCHEMBL2203035 0.77 LMNA (0.45) LMNAHPGDKDM4EHSD17B10KMT2A
SCHEMBL5256030 0.73 DHPS (0.47) DHPSPDE10APDE2AHSD11B1LMNA
SCHEMBL2199779 0.71 PDE5A (0.66) PDE5A
SCHEMBL2193613 0.69 KDM4E (0.35) PDE10APDE2AHPGDKDM4EHSD17B10
SCHEMBL31095309 0.69 KDM4E (0.35) PDE10APDE2AHPGDKDM4EHSD17B10
SCHEMBL4254483 0.69 DHPS (0.41) DHPS
SCHEMBL10939995 0.68 NPC1 (0.41) HSD11B1ATMHPGDHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977342-B2 HCV inhibiting bi-cyclic pyrimidines TIBOTEC-VIRCO VIROLOGY BVBA (BE) 2011-07-12 US disclosed
US-7977342-B2 HCV inhibiting bi-cyclic pyrimidines TIBOTEC-VIRCO VIROLOGY BVBA (BE) 2011-07-12 US disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 US disclosed
EP-1799218-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES Tibotec Pharmaceuticals Ltd. (IE) 2007-06-27 EP disclosed
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 US disclosed
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 US disclosed
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 US disclosed
WO-2006035061-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-04-06 WO disclosed
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta SCIOS, INC. 2005-01-06 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 (2 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-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES UMPS, NUDT1, PNP DHPS 83/4885PDE5A 1152/4885PDE10A 1130/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 DHPS 245/4885PDE5A 977/4885PDE10A 1494/4885

“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.