SCHEMBL24137474

SCHEMBL24137474

C#CCCC(=O)Nc1ncc(-c2cncc(N[C@@H](C)c3ccccc3)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ HTR7 P34969 4/20 0.42
▸ ACP1 P24666 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ADRA1D P25100 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ LIMK1 P53667 2/20 0.38
▸ CCNT1 O60563 1/20 0.37

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
SCHEMBL25938501 0.89 HTR7 (0.42) CCNE1CDK2CDK5HTR7ACP1
SCHEMBL25936856 0.73 ALDH1A1 (0.46) HTR7ALDH1A1MEN1LMNAMAPT
SCHEMBL24137472 0.72 HTR7 (0.48) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL25683131 0.70 POLB (0.51) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL24137922 0.69 GAA (0.54) HTR7ALDH1A1MEN1LMNAMAPT
SCHEMBL25934202 0.69 CCNE1 (0.39) CCNE1CDK2CDK5ALDH1A1MEN1
SCHEMBL24137867 0.69 HTR7 (0.47) HTR7ALDH1A1MEN1LMNAMAPT
SCHEMBL21962875 0.68 CCNE1 (0.66) CCNE1CDK2CDK5ACP1ALDH1A1
SCHEMBL24137863 0.68 CDK7 (0.46) HTR7ALDH1A1MAPTADRA1DHTR2C
SCHEMBL5835618 0.67 CCNE1 (0.69) CCNE1CDK2CDK5ACP1ALDH1A1

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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 — — US disclosed
WO-2021263129-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-30 — — 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 CCNE1 771/4885CDK2 68/4885CDK5 90/4885

“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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