SCHEMBL20929741

SCHEMBL20929741

C[C@@H]1CN(c2ccc(N)nn2)C[C@H](C)O1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.66
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ PIK3CA P42336 3/20 0.40
▸ MTOR P42345 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAP3K12 Q12852 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 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
SCHEMBL11636168 1.00 KMT2A (0.66) KMT2AADORA2AADORA1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11638858 0.98 KMT2A (0.64) KMT2AADORA2AADORA1ALDH1A1KDM4E
SCHEMBL20929742 0.81 NR3C2 (0.46) KMT2APIK3CAMTORMAP3K12PRKDC
SCHEMBL11636266 0.81 NR3C2 (0.46) KMT2APIK3CAMTORMAP3K12PRKDC
SCHEMBL24156925 0.81 KMT2A (0.68) KMT2AADORA2AADORA1ALDH1A1KDM4E
SCHEMBL19012466 0.81 KMT2A (0.68) KMT2AADORA2AADORA1ALDH1A1KDM4E
SCHEMBL20929369 0.79 KMT2A (1.00) KMT2AALDH1A1KDM4EGAAMEN1
SCHEMBL20929375 0.79 KMT2A (1.00) KMT2AALDH1A1KDM4EGAAMEN1
SCHEMBL21588370 0.79 KMT2A (1.00) KMT2AALDH1A1KDM4EGAAMEN1
SCHEMBL20929744 0.79 KMT2A (0.41) KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4265254-A2 IMIDAZO[4,5-B]PYRIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2023-10-25 — — EP disclosed
US-20230310433-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2023-10-05 — — US disclosed
US-20230310433-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2023-10-05 — — US disclosed
US-20230310433-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2023-10-05 — — US disclosed
EP-3697784-B1 IMIDAZO[4,5-B]PYRIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2023-10-04 — — EP disclosed
US-11564923-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2023-01-31 — — US disclosed
US-11564923-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2023-01-31 — — US disclosed
US-20210169879-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2021-06-10 — — US disclosed
US-20210169879-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2021-06-10 — — US disclosed
WO-2019076716-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2019-04-25 — — 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 (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-20210169879-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS IL15, IL2, IL23R KMT2A 3992/4885ADORA2A 831/4885ADORA1 516/4885
US-11564923-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders IL15, IL2, IL33 KMT2A 3843/4885ADORA2A 913/4885ADORA1 526/4885
US-20230310433-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS IL15, IL2, IL33 KMT2A 3843/4885ADORA2A 913/4885ADORA1 526/4885

“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.

Send feedback