SCHEMBL22529946

SCHEMBL22529946

CNc1ccc(Oc2ccc(-c3ccccc3)nc2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.47
▸ CYP11B2 P19099 4/20 0.47
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ BAZ2B Q9UIF8 1/20 0.38
▸ CYP3A4 P08684 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ GPR39 O43194 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL22529924 0.88 AURKA (0.38) CYP11B1CYP11B2NPC1RAB9AEGLN1
SCHEMBL29352030 0.88 AURKA (0.38) CYP11B1CYP11B2NPC1RAB9AEGLN1
SCHEMBL22529945 0.82 CYP11B1 (0.49) CYP11B1CYP11B2NPC1RAB9ATDP1
SCHEMBL29349924 0.82 CYP11B1 (0.49) CYP11B1CYP11B2NPC1RAB9ATDP1
SCHEMBL22530429 0.79 CYP11B1 (0.51) CYP11B1CYP11B2CYP3A4CYP1A2CYP2C9
SCHEMBL29351920 0.78 CYP11B1 (0.45) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL22530938 0.78 CYP11B1 (0.45) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL22530855 0.77 CYP11B1 (0.50) CYP11B1CYP11B2NPC1RAB9ABAZ2B
SCHEMBL22529941 0.71 SCN9A (0.41) NPC1RAB9AEGLN1SMN1; SMN2MEN1
SCHEMBL28718883 0.71 CYP11B1 (0.52) CYP11B1CYP11B2NPC1RAB9ATDP1

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
CN-118994001-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-11-22 — — CN disclosed
CN-113966324-B NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-09-03 — — CN disclosed
US-20220169642-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF CELLESTIA BIOTECH AG (CH) 2022-06-02 — — US disclosed
US-20220169642-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF CELLESTIA BIOTECH AG (CH) 2022-06-02 — — US disclosed
EP-3953335-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS Cellestia Biotech AG (CH) 2022-02-16 — — EP disclosed
CN-113966324-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2022-01-21 — — CN disclosed
WO-2020208139-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS CELLESTIA BIOTECH AG (CH) 2020-10-15 — — WO disclosed
WO-2020208139-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS CELLESTIA BIOTECH AG (CH) 2020-10-15 — — 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-20220169642-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF NOTCH1, NOTCH4, NOTCH2 CYP11B1 2767/4885CYP11B2 3348/4885NPC1 1517/4885

“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.

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