SCHEMBL682010

SCHEMBL682010

CC(c1cc2ccccc2nc1Cl)n1cnc2c(N)ncnc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.67
ADORA2A P29274 2/20 0.50
ADORA2B P29275 2/20 0.50
ADORA1 P30542 2/20 0.50
PI4KA P42356 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
HCK P08631 1/20 0.49
SRC P12931 1/20 0.49
KDR P35968 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
MTOR P42345 1/20 0.49
PIK3CG P48736 1/20 0.49
EPHB4 P54760 1/20 0.49
PRKDC P78527 1/20 0.49
PIK3R1 P27986 2/20 0.48

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
SCHEMBL681856 0.85 PIK3CD (0.65) PIK3CDADORA2AADORA2BADORA1PI4KA
SCHEMBL682009 0.82 PIK3CD (0.85) PIK3CDADORA2AADORA2BADORA1PI4KA
SCHEMBL681731 0.81 PIK3CD (1.00) PIK3CDADORA2AADORA2BADORA1PI4KA
SCHEMBL681833 0.75 PIK3CG (0.59) PIK3CDPI4KBABL1EGFRHCK
SCHEMBL13268766 0.74 ADORA2A (0.65) PIK3CDADORA2AADORA2BADORA1PI4KA
SCHEMBL13269011 0.74 ADORA2A (0.65) PIK3CDADORA2AADORA2BADORA1PI4KA
SCHEMBL27917364 0.74 ADORA2A (0.48) PIK3CDADORA2AADORA2BADORA1PI4KA
SCHEMBL15892693 0.74 PIK3CD (0.67) PIK3CDADORA2AADORA2BADORA1PI4KA
SCHEMBL15892694 0.72 PIK3CD (0.86) PIK3CDADORA2AADORA2BADORA1PI4KA
SCHEMBL681732 0.70 PIK3CD (1.00) PIK3CDADORA2AADORA2BADORA1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 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-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885ADORA2A 3055/4885ADORA2B 3707/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885ADORA2A 3055/4885ADORA2B 3707/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885ADORA2A 3055/4885ADORA2B 3707/4885

“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.