SCHEMBL20072638

SCHEMBL20072638

C=C(Nc1nccc2cccnc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 15/20 0.79
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 2/20 0.50
RAB9A P51151 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
DRD2 P14416 1/20 0.49
ADRA1A P35348 1/20 0.49
DRD3 P35462 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
LMNA P02545 3/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL20063231 0.88 PHGDH (1.00) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20072632 0.76 PHGDH (0.60) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20063202 0.75 PHGDH (1.00) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20072474 0.72 PHGDH (0.80) PHGDHTP53MAPTKMT2ARAB9A
SCHEMBL20072630 0.72 PHGDH (0.52) PHGDHKMT2ALMNAMEN1POLB
SCHEMBL10483006 0.70 PHGDH (0.53) PHGDHTP53MAPTKMT2ADRD2
SCHEMBL20072478 0.70 LMNA (0.51) PHGDHKMT2ALMNAMEN1POLB
SCHEMBL4722342 0.70 MEN1 (0.71) PHGDHTP53MAPTKMT2ALMNA
SCHEMBL20072570 0.70 PHGDH (1.00) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20072512 0.70 PHGDH (0.59) PHGDHKMT2ARAB9ACACNA1BAPBA1

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 2 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

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 1/4885TP53 297/4885MAPT 154/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 PHGDH 1/4885TP53 245/4885MAPT 182/4885

“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.