SCHEMBL21178285

SCHEMBL21178285

COc1ccc(COc2cc(F)cc3nc(C)nc(C)c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.45
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
STAT3 P40763 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAOB P27338 1/20 0.40
CSF1R P07333 5/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APP P05067 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
KIT P10721 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL30823267 1.00 PDE2A (0.45) PDE2AMAPTSMN1; SMN2HTTLMNA
SCHEMBL21178353 0.77 P2RY12 (0.46) MAPTSMN1; SMN2NPC1RAB9ACSF1R
SCHEMBL21177866 0.74 IP6K1 (0.44) MAPTSMN1; SMN2NPC1RAB9AMAOB
SCHEMBL30823296 0.74 IP6K1 (0.44) MAPTSMN1; SMN2NPC1RAB9AMAOB
SCHEMBL21187343 0.73 SYK (0.43) NPC1RAB9AMAOBCSF1RKDM4E
SCHEMBL26731927 0.71 NPC1 (0.43) PDE2AMAPTSMN1; SMN2HTTLMNA
SCHEMBL30524590 0.69 HTT (0.45) MAPTSMN1; SMN2HTTLMNASTAT3
SCHEMBL21988922 0.69 NPC1 (0.53) MAPTSMN1; SMN2HTTLMNAPOLB
SCHEMBL14895605 0.69 MAOB (0.60) SMN1; SMN2POLBNPC1RAB9AMAOB
SCHEMBL21988650 0.68 NPC1 (0.49) MAPTSMN1; SMN2LMNANPC1RAB9A

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 9 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
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 702/4885MAPT 1633/4885SMN1; SMN2 2187/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK PDE2A 702/4885MAPT 1633/4885SMN1; SMN2 2187/4885

“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.