SCHEMBL17450142

SCHEMBL17450142

CCCCCn1cnc2c(NCc3ccccc3)nc(F)nc21

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.67
TMIGD3 P0DMS9 2/20 0.58
ADORA2A P29274 2/20 0.58
ADORA1 P30542 2/20 0.58
CDK2 P24941 2/20 0.55
CCNA2 P20248 1/20 0.55
CCNA1 P78396 1/20 0.55
CACNA1B Q00975 1/20 0.55
CDK1 P06493 3/20 0.55
HDAC1 Q13547 2/20 0.54

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
SCHEMBL17450128 0.87 CDK1 (0.60) CTSLTMIGD3ADORA2AADORA1CDK2
SCHEMBL17450124 0.85 CDK1 (0.72) CTSLTMIGD3ADORA2AADORA1CDK2
SCHEMBL17450223 0.82 CDK1 (0.60) CTSLTMIGD3ADORA2AADORA1CDK2
SCHEMBL17442999 0.82 CDK1 (0.73) CDK2CCNA2CCNA1CDK1
SCHEMBL17450224 0.82 CDK1 (0.57) CTSLTMIGD3ADORA2AADORA1CDK2
SCHEMBL17450179 0.81 CDK1 (0.56) CTSLTMIGD3ADORA2AADORA1CDK2
SCHEMBL6817859 0.81 CDK1 (0.74) CTSLTMIGD3ADORA2AADORA1CDK2
SCHEMBL31061476 0.81 CTSL (1.00) CTSL
SCHEMBL17450131 0.78 CTSL (0.72) CTSLCDK2CDK1HDAC1
SCHEMBL24670403 0.78 PDE5A (0.51) CTSLTMIGD3ADORA2AADORA1CDK2

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 CTSL 3700/4885TMIGD3 3542/4885ADORA2A 753/4885

“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.