SCHEMBL14461815

SCHEMBL14461815

CCOC(=O)c1cnccc1Nc1nc(-c2cc(CI)ccc2F)nc2c1C(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 12/20 0.41
TGFBR1 P36897 7/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
BRAF P15056 1/20 0.33
EIF2AK3 Q9NZJ5 1/20 0.33
ACVR1B P36896 3/20 0.33
ACVRL1 P37023 2/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL12510115 0.91 BUB1 (0.42) BUB1TGFBR1FLT1FLT4KDR
SCHEMBL2201216 0.90 TGFBR1 (0.44) BUB1TGFBR1ACVR1BACVRL1CYP3A4
SCHEMBL12426216 0.90 TGFBR1 (0.44) BUB1TGFBR1ACVR1BACVRL1CYP3A4
SCHEMBL14461817 0.88 NUDT1 (0.44) BUB1TGFBR1FLT1FLT4KDR
SCHEMBL12510113 0.78 NUDT1 (0.46) BUB1TGFBR1FLT1FLT4KDR
SCHEMBL12426215 0.78 TGFBR1 (0.51) TGFBR1ACVR1BACVRL1CYP3A4
SCHEMBL2200730 0.78 TGFBR1 (0.51) TGFBR1ACVR1BACVRL1CYP3A4
SCHEMBL2202010 0.78 BUB1 (0.45) BUB1TGFBR1ACVR1BACVRL1
SCHEMBL12426213 0.77 TGFBR1 (0.52) BUB1TGFBR1ACVR1BACVRL1CYP3A4
SCHEMBL2200355 0.77 NUDT1 (0.56) TGFBR1ACVR1BACVRL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155716-A1 HCV INHIBITING BI-CYCLIC PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-05 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 (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 BUB1 836/4885TGFBR1 3900/4885FLT1 2797/4885

“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.