SCHEMBL17442988

SCHEMBL17442988

Fc1nc(NCc2ccccc2)c2ncn(C3CCNC3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 7/20 0.59
▸ CTSL P07711 3/20 0.55
▸ CCNE2 O96020 3/20 0.51
▸ CCNE1 P24864 3/20 0.51
▸ CDK2 P24941 3/20 0.51
▸ CCNB2 O95067 1/20 0.51
▸ CDK4 P11802 1/20 0.51
▸ CCNB1 P14635 1/20 0.51
▸ CCND1 P24385 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ CCNB3 Q8WWL7 1/20 0.51
▸ CDK5 Q00535 2/20 0.50
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ CCNA2 P20248 2/20 0.46
▸ CCNA1 P78396 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL17450242 0.88 CDK1 (0.59) CDK1CTSLCCNE2CCNE1CDK2
SCHEMBL17450127 0.86 CDK1 (0.78) CDK1CTSLCCNE2CCNE1CDK2
SCHEMBL17450226 0.83 CDK1 (0.55) CDK1CTSLCCNE2CCNE1CDK2
SCHEMBL17450183 0.82 CDK1 (0.60) CDK1CTSLCCNE2CCNE1CDK2
SCHEMBL17144240 0.82 CDK1 (0.62) CDK1CTSLCCNE2CCNE1CDK2
SCHEMBL17144242 0.82 CDK1 (0.62) CDK1CTSLCCNE2CCNE1CDK2
SCHEMBL17450230 0.82 CDK1 (0.51) CDK1CTSLCCNE2CCNE1CDK2
SCHEMBL17450112 0.81 CDK1 (0.58) CDK1CTSLCCNE2CCNE1CDK2
SCHEMBL30410406 0.80 NPC1 (0.63) CDK1CTSLCCNE2CCNE1CDK2
SCHEMBL17145067 0.79 FLT3 (0.54) CDK1CTSLCCNE2CCNE1CDK2

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 2522/4885CTSL 3700/4885CCNE2 4272/4885
US-20180258090-A1 IMAGING AGENTS FOR NEURAL FLUX SLC18A2, SLC18A3, PMP22 CDK1 2522/4885CTSL 3700/4885CCNE2 4272/4885

“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.

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