SCHEMBL2201011

SCHEMBL2201011

CCCCn1nc(C)c2c(Nc3ccncc3)nc(-c3ccccc3F)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 4/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
HSD17B10 Q99714 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
ALOX15 P16050 2/20 0.40
TGFBR1 P36897 2/20 0.39
TGFBR2 P37173 1/20 0.39
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
USP2 O75604 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
BUB1 O43683 8/20 0.37
MAP4K4 O95819 1/20 0.36
CYP2C9 P11712 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2203035 0.84 LMNA (0.45) ALDH1A1LMNACYP1A2CYP3A4HSD17B10
SCHEMBL2200829 0.80 PDE5A (0.45) PDE5AALDH1A1LMNACYP1A2MEN1
SCHEMBL12426149 0.72 TDP1 (0.46) ALDH1A1LMNACYP1A2CYP3A4HSD17B10
SCHEMBL2199822 0.70 PDE5A (0.71) PDE5AALDH1A1MEN1KMT2AKDM4E
SCHEMBL8345669 0.68 CYP1A2 (0.50) ALDH1A1LMNACYP1A2CYP3A4HSD17B10
SCHEMBL411787 0.67 MEN1 (0.74) PDE5AALDH1A1LMNACYP1A2CYP3A4
SCHEMBL8345584 0.66 BUB1 (0.50) BUB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14344357 0.65 TGFBR1 (0.72) PDE5AALDH1A1LMNACYP1A2CYP3A4
SCHEMBL29831976 0.64 ABCG2 (0.59) ALDH1A1LMNACYP1A2CYP3A4HSD17B10
SCHEMBL1064782 0.64 ABCG2 (0.59) ALDH1A1LMNACYP1A2CYP3A4HSD17B10

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-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-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
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 (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-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES UMPS, NUDT1, PNP PDE5A 1152/4885ALDH1A1 1844/4885LMNA 4118/4885

“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.