SCHEMBL21503604

SCHEMBL21503604

CC(C)Cc1ccc(OC(F)(F)F)nc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 3/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ FFAR1 O14842 2/20 0.33
▸ CPB1 P15086 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ ACACB O00763 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
SCHEMBL21503526 0.85 CNR1 (0.36) CYP2C9CNR1CNR2FFAR1
SCHEMBL13017062 0.82 L3MBTL1 (0.49) CYP1A2CYP2C9CYP2C19CNR2
SCHEMBL12949847 0.81 RXRA (0.39) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5532478 0.79 ACACB (0.45) ACACB
SCHEMBL24974314 0.78 DAO (0.47) FFAR1ACACB
SCHEMBL21503605 0.78 SMN1; SMN2 (0.39) ENPP2CYP1A2CYP3A4
SCHEMBL2093848 0.78 ENPP2 (0.40) SCN10AENPP2CYP1A2CYP3A4CYP2C9
SCHEMBL21922351 0.77 ENPP2 (0.37) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24401039 0.77 LOXL2 (0.37) SCN10AENPP2CYP1A2CYP3A4CYP2C9
SCHEMBL24974030 0.77 MLNR (0.41) FFAR1ACACB

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-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
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 SCN10A 4640/4885ENPP2 2289/4885CYP1A2 1111/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP SCN10A 4640/4885ENPP2 2289/4885CYP1A2 1111/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP SCN10A 4640/4885ENPP2 2289/4885CYP1A2 1111/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP SCN10A 4640/4885ENPP2 2289/4885CYP1A2 1111/4885

“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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