SCHEMBL21179488

SCHEMBL21179488

Cc1nc(C)c2c(F)cc(F)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NPY5R Q15761 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
SCHEMBL30823293 1.00 BCHE (0.36) BCHEACHEGAAKMT2ANPY5R
SCHEMBL21325823 0.81 BCHE (0.40) BCHEACHE
SCHEMBL21178416 0.81 KDM4E (0.32) GAAKMT2A
SCHEMBL30823303 0.81 KDM4E (0.32) GAAKMT2A
SCHEMBL13633973 0.72 MKNK1 (0.35) BCHEACHE
SCHEMBL12501306 0.72 PARP1 (0.50) BCHEACHEKMT2A
SCHEMBL247638 0.72 BCHE (0.34) BCHEACHE
SCHEMBL247885 0.72 HTR5A (0.36) BCHEACHEGAA
SCHEMBL437139 0.69 NCF1 (0.42) BCHEACHEGAAKMT2A
SCHEMBL247411 0.68 BCHE (0.34) BCHEACHE

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-12005127-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-11 US disclosed
CN-111757876-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-03-22 CN disclosed
EP-3740480-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-03-06 EP disclosed
EP-3740480-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2020-11-25 EP disclosed
US-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 US disclosed
US-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 US disclosed
CN-111757876-A DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-10-09 CN disclosed
WO-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 WO disclosed
WO-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 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 (2 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-20200353101-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK BCHE 3273/4885ACHE 4436/4885GAA 291/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK BCHE 3273/4885ACHE 4436/4885GAA 291/4885

“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.