SCHEMBL21493036

SCHEMBL21493036

CC(C)(C)c1ccc(Cn2cc(CN)cn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.38
CCR9 P51686 3/20 0.37
GABRA1 P14867 1/20 0.37
GABRR1 P24046 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KLK1 P06870 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL30744550 1.00 KLKB1 (0.38) KLKB1CCR9GABRA1GABRR1GABRA3
Hydrochloric Acid SCHEMBL21491509 0.99 MAPT (0.38) KLKB1CCR9GABRA1GABRR1GABRA3
Hydrochloric Acid SCHEMBL30744366 0.99 MAPT (0.38) KLKB1CCR9GABRA1GABRR1GABRA3
SCHEMBL21503619 0.89 KCNH2 (0.38) KLKB1GABRA1GABRR1GABRA3GABRA2
Hydrochloric Acid SCHEMBL21492725 0.88 LMNA (0.40) KLKB1GABRA1GABRR1GABRA3GABRA2
Hydrochloric Acid SCHEMBL30744530 0.88 LMNA (0.40) KLKB1GABRA1GABRR1GABRA3GABRA2
SCHEMBL21503682 0.86 LOXL2 (0.40) KLKB1GABRA1GABRR1GABRA3GABRA2
SCHEMBL21492523 0.85 CHRNA7 (0.36) KLKB1CCR9GABRA1GABRR1GABRA3
Hydrochloric Acid SCHEMBL21491894 0.84 LMNA (0.41) KLKB1GABRA1GABRR1GABRA3GABRA2
Hydrochloric Acid SCHEMBL30744436 0.84 LMNA (0.41) KLKB1GABRA1GABRR1GABRA3GABRA2

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 14 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
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP 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-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-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
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
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 KLKB1 630/4885CCR9 1866/4885GABRA1 3502/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885CCR9 1866/4885GABRA1 3502/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP KLKB1 630/4885CCR9 1866/4885GABRA1 3502/4885
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885CCR9 1866/4885GABRA1 3502/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885CCR9 1866/4885GABRA1 3502/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP KLKB1 630/4885CCR9 1866/4885GABRA1 3502/4885

“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.