SCHEMBL21492571

SCHEMBL21492571

[2H]C([2H])(N)c1cnn(Cc2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TRPV4 Q9HBA0 1/20 0.36
DAO P14920 3/20 0.34
PPARD Q03181 1/20 0.34
PREP P48147 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CNR1 P21554 2/20 0.33
KCNH2 Q12809 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 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
SCHEMBL21503682 0.89 LOXL2 (0.40) GRIN1GRIN2BLMNAMAPTTRPV4
Hydrochloric Acid SCHEMBL30744436 0.88 LMNA (0.41) GRIN1GRIN2BLMNAMAPTTRPV4
Hydrochloric Acid SCHEMBL21491894 0.88 LMNA (0.41) GRIN1GRIN2BLMNAMAPTTRPV4
SCHEMBL21491519 0.80 GLS (0.38) GRIN1GRIN2BLMNAMAPTTRPV4
SCHEMBL25269987 0.79 GRIN1 (0.40) GRIN1GRIN2BLMNAMAPTTRPV4
SCHEMBL21503619 0.78 KCNH2 (0.38) GRIN1GRIN2BLMNAMAPTPPARD
SCHEMBL28532124 0.78 PPARD (0.39) GRIN1GRIN2BLMNAMAPTPPARD
SCHEMBL30744433 0.77 CYP2C9 (0.39) GRIN1GRIN2BLMNAMAPTTRPV4
SCHEMBL21491750 0.77 CYP2C9 (0.39) GRIN1GRIN2BLMNAMAPTTRPV4
Hydrochloric Acid SCHEMBL21492725 0.77 LMNA (0.40) GRIN1GRIN2BLMNAMAPTPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384790-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 US disclosed
CN-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed
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-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-11-17 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 (6 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 GRIN1 1786/4885GRIN2B 2486/4885LMNA 753/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP GRIN1 1786/4885GRIN2B 2486/4885LMNA 753/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP GRIN1 1786/4885GRIN2B 2486/4885LMNA 753/4885
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP GRIN1 1786/4885GRIN2B 2486/4885LMNA 753/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP GRIN1 1786/4885GRIN2B 2486/4885LMNA 753/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP GRIN1 1786/4885GRIN2B 2486/4885LMNA 753/4885

“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.