SCHEMBL2200829

SCHEMBL2200829

CCCCn1nc(C)c2c(Cl)nc(-c3ccccc3F)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.45
NR1H3 Q13133 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.37
TLR8 Q9NR97 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
RICTOR Q6R327 1/20 0.36
RPTOR Q8N122 1/20 0.36
MAPKAP1 Q9BPZ7 1/20 0.36
MLST8 Q9BVC4 1/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
DHPS P49366 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL2201142 0.82 DHPS (0.40) PDE5AKMT2AKDM4ELMNADHPS
SCHEMBL2201011 0.80 PDE5A (0.40) PDE5ANR1H3MEN1KMT2AKDM4E
SCHEMBL2199822 0.76 PDE5A (0.71) PDE5AMEN1KMT2AKDM4EALDH1A1
SCHEMBL5256030 0.67 DHPS (0.47) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL14461773 0.67 PDE5A (0.38) PDE5AALDH1A1LMNAMAPT
SCHEMBL31194591 0.65 L3MBTL1 (0.50) PDE5ANR1H3MEN1KMT2AKDM4E
SCHEMBL4254483 0.63 DHPS (0.41) SMN1; SMN2DHPSADORA3ADORA2AADORA1
SCHEMBL31194542 0.63 KMT2A (0.40) PDE5AMEN1KMT2AKDM4EALDH1A1
SCHEMBL2203035 0.61 LMNA (0.45) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL27441536 0.61 NPC1 (0.43) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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-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-7977342-B2 HCV inhibiting bi-cyclic pyrimidines TIBOTEC-VIRCO VIROLOGY BVBA (BE) 2011-07-12 US disclosed
EP-1608631-A4 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC (US) 2008-08-20 EP 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
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 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
US-7223766-B2 Bi-cyclic pyrimidine inhibitors of TGFβ SCIOS, INC. (US) 2007-05-29 US disclosed
EP-1608631-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGF BETA SCIOS INC. (US) 2005-12-28 EP disclosed
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta SCIOS, INC. 2005-01-06 US disclosed
WO-2004087056-A2 BI-CYCLIC PYRIMIDINE INHIBITORS OF TGFβ SCIOS INC. (US) 2004-10-14 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 (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 PDE5A 1152/4885NR1H3 2122/4885MEN1 4876/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 PDE5A 977/4885NR1H3 2633/4885MEN1 3801/4885

“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.