SCHEMBL3168988

SCHEMBL3168988

OB(O)c1ccc(Cn2cnc3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 8/20 0.69
▸ CYP11B2 P19099 8/20 0.69
▸ TNF P01375 2/20 0.69
▸ HTT P42858 5/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ LMNA P02545 4/20 0.66
▸ HDAC1 Q13547 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ TSHR P16473 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ PKM P14618 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ EGLN3 Q9H6Z9 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL13907295 0.87 CYP11B1 (0.89) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL7672864 0.83 CYP11B1 (0.75) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL31357411 0.82 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL230002 0.82 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL22533781 0.81 LTA4H (0.45) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL22533208 0.81 CYP11B1 (0.55) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL22533680 0.81 LTA4H (0.45) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL22533622 0.81 CYP11B1 (0.55) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL29424731 0.81 CYP11B1 (0.55) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL30067082 0.81 CYP11B1 (0.64) CYP11B1CYP11B2TNFHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3952995-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2022-02-16 — — EP claimed
CN-114040915-A Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors 里伯赛恩斯有限责任公司 2022-02-11 — — CN claimed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 — — WO claimed
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 — — US disclosed
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 — — US disclosed
EP-4249070-A2 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2023-09-27 — — EP disclosed
EP-3952995-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2022-02-16 — — EP disclosed
CN-114040915-A Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors 里伯赛恩斯有限责任公司 2022-02-11 — — CN disclosed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 — — WO disclosed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 — — WO disclosed
WO-2010009029-A2 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS WYETH (US) 2010-01-21 — — WO disclosed
WO-2010009029-A2 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS WYETH (US) 2010-01-21 — — WO disclosed
US-20100016609-A1 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS WYETH (US) 2010-01-21 — — US disclosed
US-20100016609-A1 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS WYETH (US) 2010-01-21 — — US disclosed
US-20100016609-A1 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS WYETH (US) 2010-01-21 — — 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 (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-20100016609-A1 METHODS FOR THE PREPARATION OF AZOLE COMPOUNDS CYP3A5, CYP3A7, CYP11B1 CYP11B1 3/4885CYP11B2 5/4885TNF 4467/4885
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 CYP11B1 127/4885CYP11B2 166/4885TNF 4199/4885

“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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