SCHEMBL20063097

SCHEMBL20063097

Cc1ccnc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 18/20 0.78
RAB9A P51151 1/20 0.67
CACNA1B Q00975 1/20 0.67
APBA1 Q02410 1/20 0.67
KMT2A Q03164 1/20 0.67

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
SCHEMBL20063101 0.91 PHGDH (0.79) PHGDHRAB9ACACNA1BAPBA1KMT2A
SCHEMBL20063103 0.89 PHGDH (0.76) PHGDHRAB9ACACNA1BAPBA1KMT2A
SCHEMBL20063106 0.88 PHGDH (0.74) PHGDHRAB9ACACNA1BAPBA1KMT2A
SCHEMBL20063099 0.88 PHGDH (0.74) PHGDHRAB9ACACNA1BAPBA1KMT2A
SCHEMBL20063098 0.88 PHGDH (0.83) PHGDHRAB9ACACNA1BAPBA1KMT2A
SCHEMBL20063094 0.87 PHGDH (1.00) PHGDHRAB9ACACNA1BAPBA1KMT2A
SCHEMBL28408134 0.87 PHGDH (0.74) PHGDH
SCHEMBL20063102 0.86 PHGDH (0.72) PHGDHRAB9ACACNA1BAPBA1KMT2A
SCHEMBL20063139 0.85 PHGDH (0.85) PHGDHRAB9ACACNA1BAPBA1KMT2A
SCHEMBL20063104 0.85 PHGDH (0.71) PHGDHRAB9ACACNA1BAPBA1KMT2A

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-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 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-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 PHGDH 1/4885RAB9A 1994/4885CACNA1B 4648/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 PHGDH 1/4885RAB9A 2026/4885CACNA1B 4598/4885

“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.