SCHEMBL24978452

SCHEMBL24978452

COc1ccc(COc2cccc(OCC(F)(F)F)c2C(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.50
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB1 P08183 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMPD1 P17405 1/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL29788601 0.87 MAOB (0.57) MAOBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL1971024 0.87 MAOB (0.57) MAOBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL30800458 0.83 MAOB (0.53) MAOBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL4939083 0.83 MAOB (0.53) MAOBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL24978450 0.82 MAOB (0.73) MAOBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL4941339 0.81 NPC1 (0.53) MAOBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL4520573 0.79 MAOB (0.49) MAOBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL24978176 0.78 MAOB (0.48) MAOBNPC1RAB9APOLBSMN1; SMN2
SCHEMBL14339676 0.78 ABCB1 (0.47) MAOBNPC1RAB9AABCB1FFAR1
SCHEMBL4947178 0.77 SMN1; SMN2 (0.51) MAOBNPC1RAB9ASMN1; SMN2HPGD

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-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-01-26 US 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 (3 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-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 MAOB 4683/4885NPC1 3820/4885RAB9A 3175/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 MAOB 4683/4885NPC1 3820/4885RAB9A 3175/4885
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 MAOB 4683/4885NPC1 3820/4885RAB9A 3175/4885

“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.