SCHEMBL9964552

SCHEMBL9964552

COC(=O)N1CCc2nc(C(C)(C)C)sc2C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.44
GRM5 P41594 12/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA1 P30542 1/20 0.38
GCK P35557 3/20 0.37
PDGFRB P09619 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL2699291 0.88 GRAMD1A (0.53) GRAMD1AADORA1GCK
SCHEMBL2700056 0.87 RXFP1 (0.46) GRAMD1AGRM5NPC1RAB9AADORA1
SCHEMBL2699242 0.85 GRM5 (0.53) GRAMD1AGRM5NPC1RAB9ADPP4
SCHEMBL20368922 0.84 GRM5 (0.42) GRAMD1AGRM5NPC1RAB9ADPP4
SCHEMBL15889120 0.82 DPP4 (0.44) GRAMD1AGRM5NPC1RAB9AGCK
SCHEMBL12340949 0.81 GRM5 (0.39) GRAMD1AGRM5NPC1RAB9AGCK
SCHEMBL16285307 0.81 NPC1 (0.47) GRAMD1AGRM5NPC1RAB9ADPP4
SCHEMBL16285303 0.81 NPC1 (0.59) GRAMD1AGRM5NPC1RAB9ADPP4
SCHEMBL17933982 0.81 RAD52 (0.51) GRAMD1AGRM5NPC1RAB9AADORA1
SCHEMBL2697700 0.78 GRM5 (0.45) GRM5NPC1RAB9ADPP4DPP8

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
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 US disclosed
US-20180207154-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor and/or a JAK-2 Inhibitor ACERTA PHARMA BV (NL) 2018-07-26 US disclosed
US-9949971-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor and/or a JAK-2 inhibitor ACERTA PHARMA B.V. (NL) 2018-04-24 US disclosed
US-20170239351-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, a PD-1 Inhibitor, and/or a PD-L1 Inhibitor ACERTA PHARMA BV (NL) 2017-08-24 US disclosed
US-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor ACERTA PHARMA B.V. (NL) 2017-08-17 US disclosed
US-20170224819-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK 4/6 Inhibitor ACERTA PHARMA BV (NL) 2017-08-10 US disclosed
US-20170136014-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor and/or a JAK-2 Inhibitor ACERTA PHARMA BV (NL) 2017-05-18 US disclosed
US-8673933-B2 JAK2 inhibitors and their use for the treatment of myeloproliferative diseases and cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-8202881-B2 JAK2 inhibitors and their use for the treatment of myeloproliferative diseases and cancer BRISTOL-MEYERS SQUIBB COMPANY (US) 2012-06-19 US disclosed
US-20110059943-A1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER BRISTOL-MYERS SQUIBB COMPANY 2011-03-10 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 (7 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-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor BTK, JAK2, BCL9 GRAMD1A 2422/4885GRM5 3969/4885NPC1 4593/4885
US-20170136014-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor and/or a JAK-2 Inhibitor BTK, JAK2, JAK1 GRAMD1A 2667/4885GRM5 3710/4885NPC1 4478/4885
US-20110059943-A1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER JAK2, JAK1, JAK3 GRAMD1A 1861/4885GRM5 3667/4885NPC1 3223/4885
US-20170239351-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, a PD-1 Inhibitor, and/or a PD-L1 Inhibitor BTK, JAK1, PDCD1 GRAMD1A 2222/4885GRM5 4118/4885NPC1 4804/4885
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 GRAMD1A 2422/4885GRM5 3969/4885NPC1 4593/4885
US-20170224819-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK 4/6 Inhibitor BTK, CDK6, CDK4 GRAMD1A 2274/4885GRM5 3331/4885NPC1 4810/4885
US-20180207154-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor and/or a JAK-2 Inhibitor BTK, JAK2, JAK1 GRAMD1A 2896/4885GRM5 3865/4885NPC1 4414/4885

“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.