SCHEMBL24324113

SCHEMBL24324113

CC1(C)CN(c2cnc(C#N)nc2)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.39
OPRM1 P35372 16/20 0.36
OPRL1 P41146 16/20 0.36
EGLN2 Q96KS0 1/20 0.33
PARP1 P09874 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
SCHEMBL24323519 0.86 PANK3 (0.41) PANK3OPRM1OPRL1EGLN2PARP1
SCHEMBL24323948 0.82 PANK3 (0.42) PANK3OPRM1OPRL1EGLN2PARP1
SCHEMBL28024107 0.78 PANK3 (0.49) PANK3EGLN2PARP1
SCHEMBL153675 0.75 ALDH1A1 (0.48) PANK3PARP1
SCHEMBL151146 0.74 PANK3 (0.47) PANK3PARP1
SCHEMBL150176 0.73 ALDH1A1 (0.47) PANK3PARP1
SCHEMBL139436 0.73 ALDH1A1 (0.47) PANK3PARP1
SCHEMBL24323937 0.70 TDP1 (0.30)
SCHEMBL154604 0.70 KDM4E (0.47) PANK3
SCHEMBL24989603 0.70 CHRNB2 (0.50) PANK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2024-05-09 US disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO 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 (1 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-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B PANK3 1521/4885OPRM1 1198/4885OPRL1 1216/4885

“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.