SCHEMBL21177909

SCHEMBL21177909

COc1ccc(COc2cc(Br)cc3nc(C)ncc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.43
CSF1R P07333 4/20 0.42
NTRK1 P04629 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAOB P27338 2/20 0.40
KIT P10721 2/20 0.40
LRRK2 Q5S007 1/20 0.39
CCR5 P51681 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
SCHEMBL30823299 1.00 PDE2A (0.43) PDE2ACSF1RNTRK1NTRK3NTRK2
SCHEMBL21187309 0.82 KIT (0.44) CSF1RNTRK1NTRK3NTRK2KDM4E
SCHEMBL21178159 0.77 P2RY12 (0.48) CSF1RNTRK1NTRK2KDM4EALDH1A1
SCHEMBL27201498 0.74 NPC1 (0.47) CSF1RNTRK1NTRK3NTRK2NPC1
SCHEMBL29125391 0.74 KDM4E (0.50) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL30594971 0.74 KDM4E (0.50) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL17440928 0.74 MAOB (0.45) CSF1RNTRK1NTRK3NTRK2MEN1
SCHEMBL21179152 0.74 CYP1A2 (0.46) CSF1RNTRK1NTRK3NTRK2MEN1
SCHEMBL29125276 0.73 MEN1 (0.44) PDE2ACSF1RNTRK1NTRK3NTRK2
SCHEMBL30594947 0.73 MEN1 (0.44) PDE2ACSF1RNTRK1NTRK3NTRK2

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 8 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
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 PDE2A 702/4885CSF1R 3994/4885NTRK1 1749/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK PDE2A 702/4885CSF1R 3994/4885NTRK1 1749/4885

“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.