SCHEMBL21491797

SCHEMBL21491797

CN(Cc1cnn(Cc2ccc(C(F)(F)F)nc2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.43
KCNH2 Q12809 4/20 0.40
GPR119 Q8TDV5 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HSD17B10 Q99714 1/20 0.36
EP300 Q09472 1/20 0.36
CSF1R P07333 1/20 0.36
PREP P48147 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM2 Q14416 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
KLKB1 P03952 1/20 0.35
PPARA Q07869 1/20 0.35
GLS O94925 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL21492632 0.86 PPARD (0.42) PPARDKCNH2GPR119HDAC3CSF1R
SCHEMBL21491889 0.79 KLKB1 (0.44) PPARDKLKB1GLSEGLN2EGLN1
Trifluoroacetic Acid SCHEMBL21492407 0.79 PPARD (0.42) PPARDHDAC6HSD17B10KLKB1GLS
Trifluoroacetic Acid SCHEMBL30056789 0.79 PPARD (0.42) PPARDHDAC6HSD17B10KLKB1GLS
SCHEMBL30744539 0.77 PPARD (0.42) PPARDKCNH2GPR119HSD17B10CSF1R
SCHEMBL21493002 0.77 PPARD (0.42) PPARDKCNH2GPR119HSD17B10CSF1R
SCHEMBL21503682 0.76 LOXL2 (0.40) PPARDKCNH2PREPKLKB1
SCHEMBL21491800 0.76 KLKB1 (0.42) PPARDKLKB1GLSEGLN2EGLN1
SCHEMBL28532124 0.76 PPARD (0.39) PPARDKCNH2GPR119HSD17B10CSF1R
SCHEMBL21491519 0.76 GLS (0.38) PPARDKCNH2CSF1ROPRM1KLKB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
EP-3784669-A1 PTERIDINONE COMPOUNDS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2021-03-03 EP disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 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 (4 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP PPARD 159/4885KCNH2 4273/4885GPR119 2149/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP PPARD 159/4885KCNH2 4273/4885GPR119 2149/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP PPARD 159/4885KCNH2 4273/4885GPR119 2149/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP PPARD 159/4885KCNH2 4273/4885GPR119 2149/4885

“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.