SCHEMBL20063244

SCHEMBL20063244

Cc1ccnc(NC(=S)N2CC3CN(c4ncc(C(F)(F)F)cc4Cl)CC3C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 17/20 1.00
MAPT P10636 2/20 0.55
RAB9A P51151 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL20063161 0.88 PHGDH (1.00) PHGDHMAPTRAB9ACACNA1BAPBA1
SCHEMBL20063243 0.87 PHGDH (1.00) PHGDHMAPT
SCHEMBL20063207 0.80 PHGDH (1.00) PHGDHRAB9ACACNA1BAPBA1KMT2A
SCHEMBL20063158 0.79 PHGDH (1.00) PHGDHMAPTRAB9ACACNA1BAPBA1
SCHEMBL20063242 0.79 PHGDH (0.77) PHGDHRAB9ACACNA1BAPBA1KMT2A
SCHEMBL20063150 0.76 PHGDH (1.00) PHGDHMAPTKMT2AGAAMAPK1
SCHEMBL30474650 0.76 PHGDH (1.00) PHGDHMAPTKMT2AGAAMAPK1
SCHEMBL20063132 0.74 PHGDH (1.00) PHGDHMAPTGAAMAPK1
SCHEMBL20063094 0.71 PHGDH (1.00) PHGDHRAB9ACACNA1BAPBA1KMT2A
SCHEMBL20063155 0.71 PHGDH (1.00) 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 1/4885MAPT 154/4885RAB9A 1994/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 PHGDH 1/4885MAPT 182/4885RAB9A 2026/4885

“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.