SCHEMBL25348368

SCHEMBL25348368

CCOC(=O)c1cc(COC(F)(F)F)nn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
FAAH O00519 2/20 0.38
KMT2A Q03164 2/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL26964701 0.88 RAB9A (0.44) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL26037782 0.85 SLC16A3 (0.33) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL7703155 0.83 LMNA (0.47) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL25346661 0.83 GRN (0.47) KDM4ECA12CA1CA2CA9
Lithium SCHEMBL30645663 0.82 GRN (0.46) KDM4ECA12CA1CA2CA9
SCHEMBL29148534 0.82 GRN (0.46) KDM4ECA12CA1CA2CA9
SCHEMBL26964748 0.81 RAB9A (0.45) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL973113 0.81 LMNA (0.50) SMN1; SMN2NPC1RAB9AKDM4ELMNA
Lithium Ion SCHEMBL25349544 0.81 PKM (0.33) KDM4EALDH1A1POLB
SCHEMBL24914932 0.80 LMNA (0.43) SMN1; SMN2NPC1RAB9AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-06-13 US disclosed
EP-4291176-A1 CDK INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2023-12-20 EP disclosed
CN-117136052-A CDK inhibitors and methods of use thereof 传达治疗有限公司 2023-11-28 CN disclosed
WO-2023154426-A1 CDK INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
WO-2023154426-A1 CDK INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-08-17 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 (1 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-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF CDK3, CDK8, CDK6 SMN1; SMN2 1936/4885NPC1 3978/4885RAB9A 2872/4885

“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.