SCHEMBL17442999

SCHEMBL17442999

Cn1cnc2c(NCc3ccccc3)nc(F)nc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.73
CDK2 P24941 3/20 0.65
CCNA2 P20248 2/20 0.65
CCNA1 P78396 2/20 0.65
KDM4E B2RXH2 2/20 0.65
MAPT P10636 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
CCNE2 O96020 2/20 0.65
CCNE1 P24864 2/20 0.65
CDK5 Q00535 2/20 0.65
CCNB2 O95067 1/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
GAA P10253 1/20 0.65
CYP2D6 P10635 1/20 0.65
CCNB1 P14635 1/20 0.65
ALOX15 P16050 1/20 0.65
NFKB1 P19838 1/20 0.65
MAPK3 P27361 1/20 0.65

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
SCHEMBL17450185 0.90 CDK1 (0.58) CDK1CDK2CCNA2CCNA1KDM4E
SCHEMBL17443002 0.89 CDK1 (0.58) CDK1CDK2CCNA2CCNA1KDM4E
SCHEMBL17450191 0.88 CDK1 (0.57) CDK1CDK2CCNA2CCNA1KDM4E
SCHEMBL17450190 0.87 CDK1 (0.62) CDK1CDK2CCNA2CCNA1KDM4E
SCHEMBL17450113 0.87 CDK1 (0.56) CDK1CDK2CCNA2CCNA1KDM4E
SCHEMBL17442991 0.87 CDK1 (0.56) CDK1CDK2CCNA2CCNA1KDM4E
SCHEMBL17450195 0.87 CDK1 (0.56) CDK1CDK2CCNA2CCNA1KDM4E
SCHEMBL17450150 0.86 CDK1 (0.61) CDK1CDK2CCNA2CCNA1KDM4E
SCHEMBL17442981 0.86 CDK1 (0.58) CDK1CDK2CCNA2CCNA1KDM4E
SCHEMBL17450188 0.85 CCNE1 (0.75) CDK1CDK2TDP1CCNE2CCNE1

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 5 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
US-10519160-B2 Imaging agents for neural flux THE GENERAL HOSPITAL CORPORATION (US) 2019-12-31 US disclosed
US-20180258090-A1 IMAGING AGENTS FOR NEURAL FLUX UNITED STATES DEPARTMENT OF ENERGY 2018-09-13 US disclosed
WO-2016011394-A1 IMAGING AGENTS FOR NEURAL FLUX THE GENERAL HOSPITAL CORPORATION (US) 2016-01-21 WO 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 (2 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 3061/4885CCNA2 3113/4885
US-20180258090-A1 IMAGING AGENTS FOR NEURAL FLUX SLC18A2, SLC18A3, PMP22 CDK1 2522/4885CDK2 3061/4885CCNA2 3113/4885

“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.