SCHEMBL6029337

SCHEMBL6029337

N#CCc1c[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.53
TBXAS1 P24557 1/20 0.52
CDK2 P24941 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.45
DYRK1A Q13627 2/20 0.42
GPR84 Q9NQS5 1/20 0.41
GSK3B P49841 1/20 0.41
KIF11 P52732 4/20 0.41

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
SCHEMBL30937483 0.88 CSNK2A1 (0.61) CSNK2A1TBXAS1GPR84KIF11
SCHEMBL8957520 0.85 CSNK2A1 (0.53) CSNK2A1TBXAS1GPR84KIF11
SCHEMBL14554158 0.81 CSNK2A1 (0.49) CSNK2A1TBXAS1GPR84
SCHEMBL4945471 0.80 CSNK2A1 (0.56) CSNK2A1GPR84KIF11
SCHEMBL12327114 0.80 TBXAS1 (0.56) TBXAS1CDK2MEN1ALDH1A1CYP1A2
SCHEMBL29352833 0.80 GPR84 (0.67) CSNK2A1GPR84
SCHEMBL17027156 0.80 TBXAS1 (0.56) TBXAS1CDK2MEN1ALDH1A1CYP1A2
SCHEMBL1242939 0.80 GPR84 (0.67) CSNK2A1GPR84
SCHEMBL2537034 0.77 HTR2A (0.65) TBXAS1MEN1CYP1A2KMT2A
SCHEMBL13715393 0.77 TBXAS1 (0.53) TBXAS1CDK2MEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109229-B2 Methods and compounds for treating proliferative diseases ELI LILLY AND COMPANY (US) 2006-09-19 US disclosed
EP-1325011-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES LILLY CO ELI (US) 2004-05-06 EP disclosed
US-20040048915-A1 Methods and compounds for treating proliferative diseases ENGLER THOMAS ALBERT (US) 2004-03-11 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-20040048915-A1 Methods and compounds for treating proliferative diseases CDK4, CCNI, CCNA1 CSNK2A1 129/4885TBXAS1 1968/4885CDK2 6/4885

“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.