SCHEMBL22971559

SCHEMBL22971559

CN(C)CCNC(=O)Cc1cc(-c2cccc(-c3csc(NC(=O)CNC(=O)c4ccc(N)cc4)n3)c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.44
▸ ALK Q9UM73 1/20 0.43
▸ CYP3A4 P08684 6/20 0.42
▸ ROCK1 Q13464 5/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ WNT3A P56704 3/20 0.41
▸ HDAC3 O15379 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ FYN P06241 1/20 0.39

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
SCHEMBL21241937 0.89 CYP3A4 (0.46) CYP3A4ROCK1PRKACAWNT3AHDAC3
SCHEMBL21241984 0.89 MAPT (0.45) PHGDHCYP3A4ROCK1PRKACAMAPT
SCHEMBL22971517 0.88 PHGDH (0.46) PHGDHALKCYP3A4ROCK1PRKACA
SCHEMBL22971565 0.87 ROCK1 (0.46) PHGDHCYP3A4ROCK1PRKACAWNT3A
SCHEMBL22971681 0.87 CYP3A4 (0.49) CYP3A4ROCK1PRKACAWNT3AHDAC3
SCHEMBL22971651 0.85 HDAC3 (0.46) PHGDHCYP3A4ROCK1PRKACAWNT3A
SCHEMBL21242059 0.85 HDAC3 (0.46) CYP3A4ROCK1PRKACAWNT3AHDAC3
SCHEMBL22971717 0.85 CYP3A4 (0.46) PHGDHALKCYP3A4ROCK1PRKACA
SCHEMBL21241987 0.85 HDAC3 (0.44) CYP3A4ROCK1PRKACAWNT3AHDAC3
SCHEMBL22971658 0.83 WNT3A (0.56) CYP3A4ROCK1PRKACAWNT3AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138480-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-04 — — US disclosed
US-20230138480-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-04 — — US disclosed
US-20210038611-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2021-02-11 — — 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 (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-20230138480-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB PHGDH 3520/4885ALK 4090/4885CYP3A4 3718/4885
US-20210038611-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB PHGDH 3520/4885ALK 4090/4885CYP3A4 3718/4885

“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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