SCHEMBL4307223

SCHEMBL4307223

Cc1ccnc(-c2ccccc2C(F)(F)F)c1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
KMO O15229 2/20 0.45
SCN9A Q15858 5/20 0.41
DHODH Q02127 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PARP1 P09874 1/20 0.40
HSD11B1 P28845 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40

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
SCHEMBL4307227 0.81 KMO (0.47) CDC7CCNE1CDK2DBF4KMO
SCHEMBL4301998 0.81 SCN9A (0.47) SCN9ACYP3A4ALDH1A1SCN10A
SCHEMBL16487050 0.77 IKBKB (0.44) CDC7HSD17B10ALDH1A1PARP1GPBAR1
SCHEMBL20817165 0.77 KMO (0.52) CDC7CCNE1CDK2DBF4KMO
SCHEMBL16739630 0.77 CDC7 (0.52) CDC7CCNE1CDK2DBF4KMO
SCHEMBL5694519 0.76 PARP1 (0.51) CDC7CCNE1CDK2DBF4KMO
SCHEMBL30673409 0.76 PARP1 (0.51) CDC7CCNE1CDK2DBF4KMO
SCHEMBL19033 0.76 HSD17B10 (0.65) HSD17B10ALDH1A1TSHRGPBAR1
SCHEMBL5838644 0.76 KDM4E (0.46) CDC7CYP1A2ALDH1A1TSHRHIF1A
SCHEMBL27907482 0.75 MEN1 (0.54) CDC7CCNE1CDK2DBF4DHODH

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-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US claimed

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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 CDC7 4431/4885CCNE1 395/4885CDK2 336/4885

“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.