SCHEMBL1772141

SCHEMBL1772141

CC(C)(C)c1ccc(-c2ccc(CC#N)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 2/20 0.40
STAT3 P40763 1/20 0.40
ATM Q13315 1/20 0.40
XDH P47989 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP11B1 P15538 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
TP53 P04637 1/20 0.38
GRM2 Q14416 1/20 0.38
TNF P01375 1/20 0.37

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
SCHEMBL6260766 0.85 CYP11B1 (0.46) KIF11RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1772711 0.81 XDH (0.44) KIF11RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL15125629 0.80 KIF11 (0.57) KIF11RAB9ANPC1XDHSLC22A12
SCHEMBL1289901 0.79 CYP11B1 (0.54) RAB9ANPC1SMN1; SMN2CYP11B1
SCHEMBL25297947 0.78 KMT2A (0.37) RAB9ANPC1SMN1; SMN2MAPTSTAT3
SCHEMBL105433 0.78 KIF11 (0.47) KIF11RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12173603 0.76 KIF11 (0.48) KIF11RAB9ANPC1TNFNOD1
SCHEMBL1773332 0.75 KIF11 (0.38) KIF11RAB9ASMN1; SMN2MAPTXDH
SCHEMBL1773826 0.75 TDO2 (0.40) KIF11RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12525207 0.75 KIF11 (0.53) KIF11RAB9ANPC1XDHTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066337-A 5-hydroxypyrimidine-4-carboxamide compounds DAIICHI SANKYO CO LTD 2011-05-18 CN disclosed
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 KIF11 1475/4885HSP90AA1 4064/4885HSP90AB1 4187/4885

“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.