SCHEMBL21492216

SCHEMBL21492216

O=C(O)NC1CCC(n2ccc(C(F)(F)F)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ IDH1 O75874 3/20 0.33
▸ EGFR P00533 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ GCK P35557 1/20 0.32

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
SCHEMBL21492118 0.91 MAPT (0.38) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL28524851 0.84 JAK1 (0.45) KMT2AHDAC4
SCHEMBL28524849 0.84 JAK1 (0.45) KMT2AHDAC4
SCHEMBL21503408 0.75 KMT2A (0.46) MEN1KMT2AHDAC4
SCHEMBL21503314 0.74 MPO (0.43) IDH1
SCHEMBL743741 0.73 IDH1 (0.35) NPC1MAPTRAB9AIDH1EGFR
SCHEMBL16422538 0.73 MGLL (0.37) NPC1MAPTRAB9ARORCPOLB
Hydrochloric Acid SCHEMBL21492557 0.72 MPO (0.42) IDH1
Hydrochloric Acid SCHEMBL21492554 0.72 MPO (0.42) IDH1
SCHEMBL31390069 0.71 HTR2A (0.34) NPC1MAPTRAB9AIDH1RORC

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 MEN1 154/4885KMT2A 909/4885NPC1 1389/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MEN1 154/4885KMT2A 909/4885NPC1 1389/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP MEN1 154/4885KMT2A 909/4885NPC1 1389/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MEN1 154/4885KMT2A 909/4885NPC1 1389/4885

“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.

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