SCHEMBL17450137

SCHEMBL17450137

Cn1cc2c(NCc3ccccc3)nc(Cl)nc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.58
▸ PDE5A O76074 2/20 0.58
▸ CDK1 P06493 2/20 0.52
▸ ADORA3 P0DMS8 4/20 0.47
▸ ADORA2A P29274 3/20 0.47
▸ ADORA1 P30542 3/20 0.47
▸ ADORA2B P29275 2/20 0.47
▸ PDE2A O00408 2/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ RAD52 P43351 1/20 0.43
▸ HRH4 Q9H3N8 2/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ BCHE P06276 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
SCHEMBL29388255 0.74 APP (1.00) APPPDE5ARAD52BCHEACHE
SCHEMBL3113122 0.74 APP (1.00) APPPDE5ARAD52BCHEACHE
SCHEMBL18303726 0.74 PDE5A (0.67) APPPDE5ACDK1CYP1A2CYP3A4
SCHEMBL17442994 0.74 PDE2A (0.81) APPPDE5ACDK1PDE2ACYP1A2
SCHEMBL10870588 0.73 CDK1 (0.54) APPPDE5ACDK1PDE4APDE4B
SCHEMBL27248399 0.72 PDE4A (0.62) APPPDE5ACDK1CYP2D6CYP2C19
SCHEMBL7939004 0.72 APP (0.68) APPPDE5ACDK1PDE4APDE4B
SCHEMBL17443015 0.71 APP (0.62) APPPDE5ACDK1CYP1A2RAD52
SCHEMBL16181578 0.70 APP (0.65) APPPDE5ACDK1RAD52BCHE
SCHEMBL21055799 0.70 PDE5A (0.69) APPPDE5ARAD52HRH4HTR3A

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 4 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

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 APP 824/4885PDE5A 3151/4885CDK1 2522/4885
US-20180258090-A1 IMAGING AGENTS FOR NEURAL FLUX SLC18A2, SLC18A3, PMP22 APP 824/4885PDE5A 3151/4885CDK1 2522/4885

“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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