Sugi Predict

Sugi Predict / Compounds / SCHEMBL3490944

SCHEMBL3490944

SCHEMBL3490944

CCc1ncnc2c1c(CC)nn2C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 18/20 0.43
▸ ABL1 P00519 9/20 0.43
▸ RIPK2 O43353 4/20 0.43
▸ FYN P06241 4/20 0.43
▸ PRKACA P17612 3/20 0.43
▸ CSNK1A1 P48729 3/20 0.43
▸ MAPK14 Q16539 3/20 0.43
▸ PRKD3 O94806 3/20 0.43
▸ CSK P41240 3/20 0.43
▸ PRKD2 Q9BZL6 3/20 0.43
▸ MAPK8 P45983 3/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ PRKD1 Q15139 2/20 0.43
▸ CAMK2A Q9UQM7 2/20 0.43
▸ CSNK1E P49674 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ LCK P06239 3/20 0.41
▸ CSNK1D P48730 3/20 0.41
▸ EGFR P00533 3/20 0.41

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
SCHEMBL10457496 0.85 SRC (0.42) SRCABL1RIPK2FYNPRKACA
SCHEMBL10261882 0.85 SRC (0.41) SRCABL1RIPK2FYNPRKACA
SCHEMBL462054 0.75 PIK3CD (0.39) SRCABL1EGFRKDRRET
SCHEMBL18588933 0.75 ATG7 (0.32) —
SCHEMBL3788099 0.71 SRC (0.57) SRCABL1RIPK2FYNPRKACA
SCHEMBL10445129 0.69 PIK3CD (0.38) SRCABL1EGFRKDRKDM4E
SCHEMBL409549 0.68 SRC (0.47) SRCABL1RIPK2FYNPRKACA
SCHEMBL15147293 0.67 NOTUM (0.49) SRCABL1EGFRKDRALDH1A1
SCHEMBL13019650 0.67 SRC (0.64) SRCABL1RIPK2FYNPRKACA
SCHEMBL12551769 0.66 SRC (0.64) SRCABL1RIPK2FYNPRKACA

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-20130005746-A1 INHIBITORS OF BRUTONS TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. (US) 2013-01-03 — — US disclosed
US-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-07-19 — — US disclosed
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 — — US disclosed
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. (US) 2011-09-15 — — US disclosed
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2010-10-07 — — 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 (5 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-20130005746-A1 INHIBITORS OF BRUTONS TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN SRC 5/4885ABL1 2/4885RIPK2 312/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 SRC 17/4885ABL1 1/4885RIPK2 345/4885
US-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 SRC 17/4885ABL1 1/4885RIPK2 345/4885
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 SRC 17/4885ABL1 1/4885RIPK2 345/4885
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN SRC 6/4885ABL1 2/4885RIPK2 431/4885

“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.