SCHEMBL20072478

SCHEMBL20072478

C=C(Nc1nc(-c2ccccc2)c[nH]1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
HTT P42858 2/20 0.51
PHGDH O43175 13/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
XBP1 P17861 1/20 0.47
MAPK1 P28482 1/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL20063263 0.89 PHGDH (0.62) LMNAPHGDHMEN1KMT2APOLB
SCHEMBL20072630 0.73 PHGDH (0.52) LMNAHTTPHGDHMEN1KMT2A
SCHEMBL20072632 0.71 PHGDH (0.60) LMNAHTTPHGDHMEN1KMT2A
SCHEMBL20072638 0.70 PHGDH (0.79) LMNAHTTPHGDHMEN1KMT2A
SCHEMBL3777222 0.70 LMNA (0.62) LMNAHTTNPSR1
SCHEMBL31172174 0.69 ALDH1A1 (0.51) LMNAMEN1KMT2APOLBMAPK1
SCHEMBL11403721 0.68 ALDH1A1 (0.57) LMNAHTTMEN1KMT2AMAPK1
SCHEMBL28226906 0.68 ALDH1A1 (0.77) LMNAHTTMEN1KMT2APOLB
SCHEMBL631027 0.68 LMNA (0.70) LMNAHTTMEN1KMT2APOLB
SCHEMBL3712337 0.67 LMNA (0.60) LMNAHTTPHGDHMEN1KMT2A

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 LMNA 3874/4885HTT 3947/4885PHGDH 1/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 LMNA 3829/4885HTT 4018/4885PHGDH 1/4885

“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.