SCHEMBL21178784

SCHEMBL21178784

COc1ccc(COc2cc(Br)cc3nonc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CCR5 P51681 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
APP P05067 3/20 0.39
CSF1R P07333 2/20 0.39
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
ABCB1 P08183 1/20 0.39
LRRK2 Q5S007 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL27201498 0.82 NPC1 (0.47) MAOBNPC1RAB9ACCR5HDAC8
SCHEMBL21178440 0.77 P2RY12 (0.46) RAB9ACCR5MAPTAPPCSF1R
SCHEMBL21187309 0.74 KIT (0.44) MAOBNPC1RAB9ACCR5HDAC8
SCHEMBL20521768 0.74 NPC1 (0.54) MAOBNPC1RAB9AMAPTCSF1R
SCHEMBL21179008 0.73 CSF1R (0.41) MAOBNPC1RAB9ACCR5HDAC8
SCHEMBL25180595 0.73 CCR5 (0.57) MAOBNPC1RAB9ACCR5APP
SCHEMBL30823299 0.72 PDE2A (0.43) MAOBNPC1RAB9ACCR5HDAC8
SCHEMBL21177909 0.72 PDE2A (0.43) MAOBNPC1RAB9ACCR5HDAC8
SCHEMBL30682049 0.72 CCR5 (0.56) MAOBCCR5APPCSF1RNTRK1
SCHEMBL189978 0.71 MAOB (0.47) MAOBNPC1RAB9ACCR5HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740479-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-11-20 EP disclosed
US-12121524-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-22 US disclosed
US-20210060028-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2021-03-04 US disclosed
EP-3740479-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2020-11-25 EP disclosed
WO-2019143675-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 WO disclosed
WO-2019143675-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-12121524-B2 DNA-PK inhibitors POLK, DTYMK, DCK MAOB 3026/4885NPC1 706/4885RAB9A 4183/4885
US-20210060028-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK MAOB 3026/4885NPC1 706/4885RAB9A 4183/4885

“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.