SCHEMBL21491491

SCHEMBL21491491

C[C@@H]1Nc2nc(Cl)ncc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
BRPF1 P55201 1/20 0.42
CREBBP Q92793 1/20 0.42
XIAP P98170 1/20 0.40
BIRC2 Q13490 1/20 0.40
TSHR P16473 1/20 0.37
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
NTRK1 P04629 1/20 0.30

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
SCHEMBL14952335 1.00 GSK3B (0.43) GSK3BBRPF1CREBBPXIAPBIRC2
SCHEMBL14952199 1.00 GSK3B (0.43) GSK3BBRPF1CREBBPXIAPBIRC2
SCHEMBL21491573 0.80 JUN (0.32) JUNNFKB1NFKB2RELATYRO3
SCHEMBL21492680 0.76 JUN (0.30) JUNNFKB1NFKB2RELA
SCHEMBL21492677 0.76 JUN (0.30) JUNNFKB1NFKB2RELA
SCHEMBL21491887 0.75 GDA (0.33) JUNNFKB1NFKB2RELA
SCHEMBL21492452 0.74 JUN (0.30) JUNNFKB1NFKB2RELA
SCHEMBL9110195 0.73 GSK3B (0.45) GSK3BBRPF1CREBBPXIAPBIRC2
SCHEMBL9110204 0.73 GSK3B (0.45) GSK3BBRPF1CREBBPXIAPBIRC2
SCHEMBL17769425 0.73 GAA (0.38) TSHR

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 16 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
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
CN-112218865-A Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2021-01-12 CN 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 GSK3B 1463/4885BRPF1 1986/4885CREBBP 3378/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP GSK3B 1463/4885BRPF1 1986/4885CREBBP 3378/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP GSK3B 1463/4885BRPF1 1986/4885CREBBP 3378/4885
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP GSK3B 1463/4885BRPF1 1986/4885CREBBP 3378/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP GSK3B 1463/4885BRPF1 1986/4885CREBBP 3378/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP GSK3B 1463/4885BRPF1 1986/4885CREBBP 3378/4885

“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.