SCHEMBL2202010

SCHEMBL2202010

CCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 5/20 0.45
TGFBR1 P36897 12/20 0.45
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
ACVR1B P36896 8/20 0.42
ACVRL1 P37023 7/20 0.42
NUDT1 P36639 1/20 0.40
ACVR1 Q04771 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL12426186 0.98 BUB1 (0.47) BUB1TGFBR1TP53MAPTACVR1B
SCHEMBL12426339 0.90 TGFBR1 (0.54) BUB1TGFBR1ACVR1BACVRL1NUDT1
SCHEMBL2198890 0.88 TGFBR1 (0.44) BUB1TGFBR1ACVR1BACVRL1NUDT1
SCHEMBL2198485 0.87 TGFBR1 (0.51) TGFBR1ACVR1BACVRL1NUDT1ACVR1
SCHEMBL5419312 0.87 TGFBR1 (0.42) BUB1TGFBR1ACVR1BACVRL1NUDT1
SCHEMBL12426202 0.86 NUDT1 (0.56) TGFBR1ACVR1BACVRL1NUDT1ACVR1
SCHEMBL2201216 0.86 TGFBR1 (0.44) BUB1TGFBR1ACVR1BACVRL1NUDT1
SCHEMBL12426216 0.86 TGFBR1 (0.44) BUB1TGFBR1ACVR1BACVRL1NUDT1
SCHEMBL2200336 0.86 TGFBR1 (0.46) BUB1TGFBR1ACVR1BACVRL1NUDT1
SCHEMBL12426343 0.85 TGFBR1 (0.51) TGFBR1ACVR1BACVRL1NUDT1ACVR1

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 12 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
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
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 BUB1 836/4885TGFBR1 3900/4885TP53 1515/4885
US-20050004143-A1 Bi-cyclic pyrimidine inhibitors of TGFbeta TYMP, TYMS, TGFBR1 BUB1 116/4885TGFBR1 3/4885TP53 643/4885

“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.