SCHEMBL21178290

SCHEMBL21178290

CC1(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4ncncc34)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.36
PRKDC P78527 9/20 0.35
SIK1 P57059 1/20 0.35
SIK2 Q9H0K1 1/20 0.35
SIK3 Q9Y2K2 1/20 0.35
KCNH2 Q12809 6/20 0.34
RIPK2 O43353 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
TBK1 Q9UHD2 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
SCHEMBL21187362 1.00 ERBB2 (0.36) ERBB2PRKDCSIK1SIK2SIK3
SCHEMBL21178291 1.00 ERBB2 (0.36) ERBB2PRKDCSIK1SIK2SIK3
SCHEMBL22651968 0.90 ERBB2 (0.35) ERBB2PRKDCSIK1SIK2SIK3
SCHEMBL21179454 0.88 ERBB2 (0.38) ERBB2PRKDCSIK1SIK2SIK3
SCHEMBL21179453 0.88 ERBB2 (0.38) ERBB2PRKDCSIK1SIK2SIK3
SCHEMBL28458341 0.87 ERBB2 (0.35) ERBB2PRKDCSIK1SIK2SIK3
SCHEMBL21187304 0.87 ERBB2 (0.35) ERBB2PRKDCSIK1SIK2SIK3
SCHEMBL30823287 0.87 ERBB2 (0.35) ERBB2PRKDCSIK1SIK2SIK3
SCHEMBL21187288 0.86 LMNA (0.41) ERBB2PRKDCSIK1SIK2SIK3
SCHEMBL21177844 0.86 LMNA (0.41) ERBB2PRKDCSIK1SIK2SIK3

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 7 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
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

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 ERBB2 953/4885PRKDC 34/4885SIK1 278/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK ERBB2 953/4885PRKDC 34/4885SIK1 278/4885

“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.