SCHEMBL25934202

SCHEMBL25934202

C#CCCC(=O)Nc1ncc(C(/C=C(\C)N[C@@H](C)c2ccccc2)=C/N=C)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CCNT1 O60563 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ MNAT1 P51948 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34

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
SCHEMBL24137474 0.69 CCNE1 (0.43) CCNE1CDK2CDK5MAPTALDH1A1
SCHEMBL25938501 0.60 HTR7 (0.42) CCNE1CDK2CDK5MAPTALDH1A1
SCHEMBL23351446 0.59 HDAC1 (0.66) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL21606761 0.58 KMT2A (0.47) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL21606763 0.58 KMT2A (0.47) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL3739756 0.57 NPC1 (0.51) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3739754 0.57 NPC1 (0.51) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3739752 0.57 NPC1 (0.51) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3739747 0.57 NPC1 (0.51) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17966983 0.57 HTT (0.60) MAPTALDH1A1KMT2ALMNANPC1

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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 — — 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-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.

Send feedback