SCHEMBL17450225

SCHEMBL17450225

CCC(=O)n1cnc2c(NCc3ccccc3)nc(F)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 14/20 0.49
▸ CDK2 P24941 9/20 0.48
▸ CCNE1 P24864 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CDK5 Q00535 5/20 0.47
▸ CCNB1 P14635 4/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ CCNA2 P20248 2/20 0.47
▸ CCNA1 P78396 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CCNE2 O96020 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL17450126 0.88 CDK1 (0.51) CDK1CDK2CCNE1KDM4EMAPT
SCHEMBL9222997 0.84 CDK1 (0.64) CDK1CDK2TDP1NPC1CCNB1
SCHEMBL17450128 0.81 CDK1 (0.60) CDK1CDK2KDM4EMAPTTDP1
SCHEMBL17442999 0.81 CDK1 (0.73) CDK1CDK2CCNE1KDM4EMAPT
SCHEMBL17450179 0.80 CDK1 (0.56) CDK1CDK2KDM4EMAPTTDP1
SCHEMBL17450223 0.79 CDK1 (0.60) CDK1CDK2CCNE1KDM4EMAPT
SCHEMBL17450186 0.78 TDP1 (0.64) CDK1CDK2CCNE1KDM4EMAPT
SCHEMBL3851604 0.78 TDP1 (0.78) CDK1CDK2CCNE1KDM4EMAPT
SCHEMBL17450124 0.77 CDK1 (0.72) CDK1CDK2CCNE1KDM4EMAPT
SCHEMBL17450142 0.76 CTSL (0.67) CDK1CDK2CCNA2CCNA1TMIGD3

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
US-10519160-B2 Imaging agents for neural flux THE GENERAL HOSPITAL CORPORATION (US) 2019-12-31 — — US disclosed
WO-2016011394-A1 IMAGING AGENTS FOR NEURAL FLUX THE GENERAL HOSPITAL CORPORATION (US) 2016-01-21 — — WO 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-10519160-B2 Imaging agents for neural flux SLC18A2, SLC18A3, PMP22 CDK1 2522/4885CDK2 3061/4885CCNE1 3918/4885

“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.

Send feedback