SCHEMBL17678380

SCHEMBL17678380

CC1c2c(n(C(C)C)cnc2=O)C1C

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PI4K2B Q8TCG2 1/20 0.31
▸ PI4K2A Q9BTU6 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ HCAR3 P49019 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 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
SCHEMBL17678373 0.69 — —
SCHEMBL15142233 0.66 MEN1 (0.31) —
SCHEMBL16477330 0.63 SMN1; SMN2 (0.33) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18237559 0.63 ADORA2A (0.47) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21871807 0.62 ADORA2A (0.39) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL16477314 0.61 ADORA2A (0.31) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL14726016 0.61 USP5 (0.42) HCAR3CDK2
SCHEMBL1498499 0.60 HCAR3 (0.42) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18237702 0.60 PDE4A (0.52) CDK2
SCHEMBL18237703 0.60 ADORA2A (0.44) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 — — US disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 — — 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 (1 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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 ADORA2A 1935/4885ADORA1 2833/4885ADORA2B 516/4885

“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