SCHEMBL17450180

SCHEMBL17450180

COC(C)n1cnc2c(NCc3ccccc3)nc(F)nc21

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ CDK1 P06493 15/20 0.60
▸ CDK5 Q00535 5/20 0.60
▸ CDK2 P24941 7/20 0.54
▸ CSNK1D P48730 1/20 0.54
▸ CLK2 P49760 1/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ HIPK4 Q8NE63 1/20 0.54
▸ SRPK1 Q96SB4 1/20 0.54
▸ CLK4 Q9HAZ1 1/20 0.54
▸ CCNB1 P14635 7/20 0.54
▸ CCNB2 O95067 2/20 0.54
▸ CCNB3 Q8WWL7 2/20 0.54
▸ CCNE1 P24864 3/20 0.52
▸ CCNE2 O96020 2/20 0.52

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
SCHEMBL3851604 0.89 TDP1 (0.78) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL21450119 0.87 CDK1 (0.79) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL17450186 0.86 TDP1 (0.64) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL17442999 0.80 CDK1 (0.73) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL17450224 0.80 CDK1 (0.57) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL3298667 0.78 CDK1 (0.63) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL17450128 0.78 CDK1 (0.60) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL3295958 0.78 CDK2 (0.68) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL3299543 0.77 CDK2 (0.70) TDP1KDM4ENPC1MAPTCDK1
SCHEMBL3295975 0.76 CDK2 (0.66) TDP1KDM4ENPC1MAPTCDK1

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 TDP1 1230/4885KDM4E 4777/4885NPC1 31/4885

“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