SCHEMBL13086678

SCHEMBL13086678

CC(C)c1cncc(-c2ncco2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.39
▸ BACE1 P56817 6/20 0.37
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ ADRB3 P13945 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ BACE2 Q9Y5Z0 3/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ GLRA3 O75311 1/20 0.33
▸ GLRB P48167 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ CHRNA7 P36544 1/20 0.31
▸ CHRNA10 Q9GZZ6 1/20 0.31
▸ CHRNA9 Q9UGM1 1/20 0.31
▸ CTSA P10619 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ CYP11B1 P15538 2/20 0.30
▸ CYP11B2 P19099 2/20 0.30
▸ DGAT1 O75907 1/20 0.30

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
SCHEMBL9263374 0.79 NOTUM (0.53) HPGDSADRB3LTA4HNOTUMCHRNA7
SCHEMBL13354410 0.77 HPGDS (0.42) HPGDSBACE1CCNCCDK8LTA4H
SCHEMBL14209412 0.77 HPGDS (0.46) HPGDSBACE1ADRB3LTA4HBACE2
SCHEMBL24869563 0.74 MALT1 (0.32) HPGDS
SCHEMBL13466616 0.74 HPGDS (0.42) HPGDSBACE1CCNCCDK8LTA4H
SCHEMBL19156716 0.73 HPGDS (0.39) HPGDSBACE1CCNCCDK8LTA4H
SCHEMBL14752258 0.73 HPGDS (0.39) HPGDSBACE1CCNCCDK8LTA4H
SCHEMBL14754891 0.73 HPGDS (0.39) HPGDSBACE1CCNCCDK8LTA4H
SCHEMBL15883334 0.73 BACE1 (0.50) HPGDSBACE1CCNCCDK8BACE2
Hydrochloric Acid SCHEMBL30555492 0.72 HPGDS (0.41) HPGDSBACE1CCNCCDK8ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10376513-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2019-08-13 — — US disclosed
US-9730939-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-08-15 — — US disclosed
US-8293769-B2 CSF-1R inhibitors, compositions, and methods of use NOVARTIS AG (CH) 2012-10-23 — — US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 — — US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 — — US disclosed
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE NOVARTIS AG (CH) 2010-05-27 — — 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 (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-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 HPGDS 115/4885BACE1 583/4885CCNC 1437/4885
US-10376513-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB HPGDS 228/4885BACE1 2873/4885CCNC 633/4885
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE CSF1R, CSF3R, FLT3 HPGDS 142/4885BACE1 620/4885CCNC 2524/4885

“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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