SCHEMBL10176277

SCHEMBL10176277

CC(C)n1cnc2c(-c3ccc(C(C)(C)C)cc3)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 2/20 0.50
▸ PI4K2B Q8TCG2 2/20 0.50
▸ PI4K2A Q9BTU6 2/20 0.50
▸ PI4KB Q9UBF8 2/20 0.50
▸ ADORA2A P29274 2/20 0.50
▸ ADORA2B P29275 2/20 0.50
▸ ADORA1 P30542 2/20 0.50
▸ CDK1 P06493 11/20 0.42
▸ CCNB1 P14635 11/20 0.42
▸ CCNB2 O95067 10/20 0.42
▸ CCNB3 Q8WWL7 10/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CCNH P51946 1/20 0.41
▸ MNAT1 P51948 1/20 0.41
▸ CCNE1 P24864 1/20 0.36

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
SCHEMBL15214876 0.84 ADORA2A (0.54) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL2477008 0.83 CDK1 (0.57) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL10227480 0.81 ADORA2A (0.50) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL12775439 0.74 ADORA2A (0.60) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL784393 0.69 ADORA2A (0.66) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL31331738 0.67 ADORA2A (0.64) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL12141941 0.67 ADORA2A (0.64) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL18751223 0.67 ADORA2A (0.64) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL754007 0.67 ADORA2A (1.00) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL2475932 0.67 ADORA2A (0.64) PI4KAPI4K2BPI4K2API4KBADORA2A

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-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 — — US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 — — US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 — — US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 — — 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-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX PI4KA 4673/4885PI4K2B 3054/4885PI4K2A 3715/4885

“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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