SCHEMBL21178273

SCHEMBL21178273

O=c1[nH]cnc2cc(Br)cc(O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.47
PIM1 P11309 2/20 0.47
AKT1 P31749 1/20 0.47
FLT3 P36888 1/20 0.47
PIM3 Q86V86 1/20 0.47
PARP1 P09874 12/20 0.44
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
PDPK1 O15530 2/20 0.37
CA12 O43570 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA9 Q16790 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL18954101 0.79 PARP1 (0.56) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL30013911 0.79 PARP1 (0.56) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL25151354 0.79 PARP1 (0.60) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL31204498 0.76 CHEK1 (0.44) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL1012534 0.76 ESR2 (0.52) FLT3PARP1NPC1RAB9APDPK1
Hydrochloric Acid SCHEMBL28832520 0.74 ESR2 (0.51) FLT3PARP1NPC1RAB9APDPK1
SCHEMBL31204526 0.73 HTT (0.42) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL15845943 0.72 BCL2 (0.60) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL4032577 0.71 PARP1 (0.64) CHEK1PIM1AKT1FLT3PIM3
Trifluoroacetic Acid SCHEMBL4036433 0.71 PARP1 (0.40) CHEK1PARP1BCL2MCL1POLB

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 CHEK1 29/4885PIM1 934/4885AKT1 1012/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK CHEK1 29/4885PIM1 934/4885AKT1 1012/4885

“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.