SCHEMBL21187309

SCHEMBL21187309

COc1ccc(COc2cc(Br)cc3ncncc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.44
EGFR P00533 2/20 0.43
LRRK2 Q5S007 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAOB P27338 1/20 0.42
CSF1R P07333 4/20 0.41
NTRK1 P04629 2/20 0.41
NTRK2 Q16620 2/20 0.41
NTRK3 Q16288 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR5 P51681 1/20 0.41

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
SCHEMBL21177909 0.82 PDE2A (0.43) KITLRRK2MEN1KMT2ANPC1
SCHEMBL30823299 0.82 PDE2A (0.43) KITLRRK2MEN1KMT2ANPC1
SCHEMBL31143861 0.80 EGFR (0.46) EGFRMEN1KMT2AKDM4EALDH1A1
SCHEMBL27201498 0.76 NPC1 (0.47) LRRK2NPC1RAB9AMAOBCSF1R
SCHEMBL21177860 0.76 P2RY12 (0.48) KITRAB9ACSF1RNTRK1NTRK2
SCHEMBL17440928 0.76 MAOB (0.45) LRRK2MEN1KMT2ANPC1RAB9A
SCHEMBL21179152 0.76 CYP1A2 (0.46) LRRK2MEN1KMT2ANPC1RAB9A
SCHEMBL2422028 0.75 LMNA (0.59) KITEGFRLRRK2MEN1KMT2A
SCHEMBL30615392 0.75 LMNA (0.59) KITEGFRLRRK2MEN1KMT2A
SCHEMBL21178784 0.74 MAOB (0.45) LRRK2NPC1RAB9AMAOBCSF1R

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
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 KIT 1107/4885EGFR 979/4885LRRK2 1278/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK KIT 1107/4885EGFR 979/4885LRRK2 1278/4885

“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.