SCHEMBL24978464

SCHEMBL24978464

COc1ccc(COc2cccc(F)c2-c2ccno2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.55
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAOB P27338 2/20 0.45
ABCB1 P08183 2/20 0.44
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
APP P05067 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 2/20 0.40

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
SCHEMBL31507334 0.81 NPC1 (0.44) SYKNPC1RAB9AMAOBABCB1
SCHEMBL26670622 0.81 NPC1 (0.44) SYKNPC1RAB9AMAOBABCB1
SCHEMBL22989897 0.75 MAOB (0.51) SYKNPC1RAB9AMAOBABCB1
SCHEMBL24978457 0.74 SYK (0.49) SYKNPC1RAB9AMAOBABCB1
SCHEMBL188646 0.72 NPC1 (0.59) SYKNPC1RAB9AMAOBABCB1
SCHEMBL26090037 0.72 NPC1 (0.53) SYKNPC1RAB9AMAOBABCB1
SCHEMBL16018989 0.72 ABCB1 (0.68) NPC1RAB9AMAOBABCB1HTR1A
SCHEMBL4939083 0.71 MAOB (0.53) NPC1RAB9AMAOBABCB1MEN1
SCHEMBL30800458 0.71 MAOB (0.53) NPC1RAB9AMAOBABCB1MEN1
SCHEMBL3873841 0.70 CYP19A1 (0.51) SYKNPC1RAB9AMAOBABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715905-A Checkpoint kinase 1 (CHK 1) inhibitors and uses thereof 无界生物公司 2024-03-15 CN disclosed
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 SYK 1996/4885NPC1 3820/4885RAB9A 3175/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 SYK 1996/4885NPC1 3820/4885RAB9A 3175/4885
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 SYK 1996/4885NPC1 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.