SCHEMBL31380019

SCHEMBL31380019

CN1CCC(c2cc3c(-c4cn(C)c5cnccc45)ccnc3[nH]2)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 20/20 0.67
▸ CCNT1 O60563 17/20 0.67
▸ CASP3 P42574 1/20 0.56
▸ CASP7 P55210 1/20 0.56

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
SCHEMBL25858983 1.00 CDK9 (0.67) CDK9CCNT1CASP3CASP7
SCHEMBL25428535 0.80 PDPK1 (0.45) CDK9CCNT1
SCHEMBL30381702 0.80 PDPK1 (0.45) CDK9CCNT1
SCHEMBL16040035 0.80 CDK9 (1.00) CDK9CCNT1CASP3CASP7
SCHEMBL27371590 0.77 CDK9 (0.63) CDK9CCNT1CASP3CASP7
SCHEMBL16041405 0.74 CCNT1 (0.75) CDK9CCNT1CASP3CASP7
SCHEMBL30381731 0.74 CCNT1 (0.65) CDK9CCNT1CASP3CASP7
SCHEMBL16040786 0.74 CCNT1 (0.65) CDK9CCNT1CASP3CASP7
SCHEMBL16042436 0.73 CCNT1 (1.00) CDK9CCNT1CASP3CASP7
SCHEMBL16042172 0.72 CCNT1 (1.00) CDK9CCNT1CASP3CASP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066349-A1 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2025-02-27 — — US 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-20250066349-A1 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS DYRK2, DYRK1A, PYGB CDK9 433/4885CCNT1 2305/4885CASP3 4374/4885

“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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