SCHEMBL22714972

SCHEMBL22714972

[2H]C([2H])([2H])C(C#N)(c1cccnc1)C([2H])([2H])[2H]

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.43
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.38
KCNA5 P22460 1/20 0.38

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
SCHEMBL29503990 1.00 CYP19A1 (0.43) CYP19A1CYP3A4CYP3A5LMNACYP1A2
SCHEMBL30589181 0.89 CYP19A1 (0.50) CYP19A1CYP3A4CYP3A5LMNACYP1A2
SCHEMBL24608491 0.89 CYP19A1 (0.50) CYP19A1CYP3A4CYP3A5LMNACYP1A2
SCHEMBL30431325 0.74 CYP19A1 (0.47) CYP19A1CYP3A4CYP3A5LMNACYP1A2
SCHEMBL21457779 0.74 CYP19A1 (0.47) CYP19A1CYP3A4CYP3A5LMNACYP1A2
SCHEMBL8067804 0.74 CYP3A4 (0.42) CYP19A1CYP3A4CYP3A5LMNACYP1A2
SCHEMBL11147179 0.73 KCNA5 (0.47) CYP19A1CYP3A4CYP3A5CYP1A2CYP11B1
SCHEMBL9770755 0.73 CYP3A4 (0.43) CYP19A1CYP3A4CYP3A5LMNACYP1A2
SCHEMBL8606933 0.73 CYP19A1 (0.50) CYP19A1CYP3A4LMNACYP1A2CYP11B1
SCHEMBL30048933 0.73 CYP19A1 (0.50) CYP19A1CYP3A4CYP3A5LMNACYP1A2

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-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases ONCO3R THERAPEUTICS BV (BE) 2025-08-19 US disclosed
EP-3976189-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2024-07-03 EP disclosed
US-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 US disclosed
EP-3976189-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES Galapagos N.V. (BE) 2022-04-06 EP disclosed
WO-2020239658-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2020-12-03 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 (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-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1B, IL1A, IL36G CYP19A1 138/4885CYP3A4 2032/4885CYP3A5 1077/4885
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases IL5, IL15, IL1A CYP19A1 211/4885CYP3A4 1055/4885CYP3A5 413/4885

“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.