SCHEMBL4266239

SCHEMBL4266239

CCNc1c(C#N)cccc1-c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 6/20 0.36
HSD17B10 Q99714 5/20 0.36
TSHR P16473 3/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CHUK O15111 1/20 0.36
HPGD P15428 6/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCAT1 P54687 1/20 0.35
MAPT P10636 3/20 0.35
EED O75530 1/20 0.35
ADORA1 P30542 2/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL4266234 0.79 MEN1 (0.41) CYP11B1CYP11B2ALDH1A1KDM4EHSD17B10
SCHEMBL28282975 0.79 ESR2 (0.42) ALDH1A1KDM4EHSD17B10TSHRGAA
SCHEMBL2650416 0.74 ESR2 (0.48) CYP11B1CYP11B2ALDH1A1KDM4EHSD17B10
SCHEMBL9069185 0.73 ESR2 (0.47) CYP11B1CYP11B2ALDH1A1KDM4EHSD17B10
SCHEMBL29468705 0.72 DYRK1A (0.38) ALDH1A1KDM4EHSD17B10TSHRGAA
SCHEMBL28315214 0.72 DYRK1A (0.38) ALDH1A1KDM4EHSD17B10TSHRGAA
SCHEMBL4266237 0.72 ADORA1 (0.41) CYP11B1CYP11B2ALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL27701462 0.71 TSHR (0.47) ALDH1A1KDM4EHSD17B10TSHRGAA
SCHEMBL6085223 0.70 ALDH1A1 (0.40) ALDH1A1GAAMEN1KMT2A
SCHEMBL27346612 0.70 KCNH2 (0.34) ALDH1A1KDM4EHSD17B10TSHRGAA

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-20090227648-A1 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2009-09-10 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-20090227648-A1 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER TP53, PDK2, PDK1 CYP11B1 40/4885CYP11B2 18/4885ALDH1A1 560/4885

“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.