SCHEMBL20063261

SCHEMBL20063261

Cn1c(NC(=S)N2CCN(c3cccc(C(C)(F)F)c3)CC2)nc2ccccc21

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 18/20 0.87
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
XBP1 P17861 1/20 0.53
RAB9A P51151 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50

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
SCHEMBL20063236 0.93 PHGDH (1.00) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL20063203 0.73 PHGDH (1.00) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL7519980 0.72 PHGDH (0.65) PHGDH
SCHEMBL20063226 0.72 PHGDH (1.00) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL20063235 0.71 PHGDH (0.85) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL20063264 0.71 PHGDH (0.58) PHGDHLMNAKMT2AMEN1POLB
Bromide SCHEMBL7525103 0.71 PHGDH (0.64) PHGDH
SCHEMBL20063224 0.70 PHGDH (1.00) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL20063223 0.69 PHGDH (1.00) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL20063202 0.69 PHGDH (1.00) PHGDHLMNAKMT2AMEN1POLB

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-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 (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-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 PHGDH 1/4885LMNA 3829/4885KMT2A 3904/4885

“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.