SCHEMBL17450139

SCHEMBL17450139

Fc1nc(NCc2ccccc2)c2ncn(CCC3C4CC5CC(C4)CC3C5)c2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 7/20 0.49
▸ CDK2 P24941 2/20 0.47
▸ CTSL P07711 4/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ ADORA1 P30542 2/20 0.45
▸ TMIGD3 P0DMS9 1/20 0.45
▸ CCNA2 P20248 1/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CDK5 Q00535 1/20 0.42

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
SCHEMBL17450124 0.80 CDK1 (0.72) CDK1CDK2CTSLRAB9AKMT2A
SCHEMBL17450223 0.78 CDK1 (0.60) CDK1CDK2CTSLADORA2AADORA1
SCHEMBL17450128 0.78 CDK1 (0.60) CDK1CDK2CTSLADORA2AADORA1
SCHEMBL17450142 0.77 CTSL (0.67) CDK1CDK2CTSLADORA2AADORA1
SCHEMBL17442999 0.75 CDK1 (0.73) CDK1CDK2CCNA2CCNA1NPC1
SCHEMBL17450224 0.75 CDK1 (0.57) CDK1CDK2CTSLADORA2AADORA1
SCHEMBL17450179 0.74 CDK1 (0.56) CDK1CDK2CTSLADORA2AADORA1
SCHEMBL17450131 0.73 CTSL (0.72) CDK1CDK2CTSL
SCHEMBL21609988 0.72 CDK1 (0.53) CDK1CDK2CTSLRAB9AADORA2A
SCHEMBL17450127 0.72 CDK1 (0.78) CDK1CDK2CTSLRAB9AADORA2A

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 3061/4885CTSL 3700/4885

“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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