SCHEMBL5007535

SCHEMBL5007535

COCCOCCN1C(=O)C(C)(C)c2cc(N)ccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
ALDH1A1 P00352 2/20 0.35
ATAD2 Q6PL18 1/20 0.34
MGLL Q99685 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSPA9 P38646 1/20 0.33
BACE1 P56817 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL14401638 0.92 PTGDR2 (0.40) PTGDR2ALDH1A1ATAD2HSPA9BACE1
SCHEMBL13233720 0.82 F2RL3 (0.41) MDM2PTGDR2ALDH1A1LMNAHSPA9
SCHEMBL14401726 0.82 BACE1 (0.38) PTGDR2ALDH1A1ATAD2BACE1
SCHEMBL5007556 0.79 HSPA9 (0.39) ATAD2LMNAHSPA9
SCHEMBL13233745 0.77 PTGDR2 (0.39) PTGDR2ALDH1A1ATAD2BACE1
SCHEMBL2488947 0.77 TDP1 (0.50) MDM2ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL1368159 0.77 ATAD2 (0.48) ALDH1A1ATAD2LMNASMN1; SMN2HSPA9
SCHEMBL4130724 0.76 ALDH1A1 (0.36) PTGDR2ALDH1A1BACE1POLB
SCHEMBL5007572 0.74 ALDH1A1 (0.46) ALDH1A1
SCHEMBL31251184 0.73 CYP3A4 (0.42) ATAD2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749994-B2 Pentacyclic kinase inhibitors GENENTECH, INC. (US) 2010-07-06 US disclosed
US-7749994-B2 Pentacyclic kinase inhibitors GENENTECH, INC. (US) 2010-07-06 US disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
EP-1968950-A1 PYRIMIDINE KINASE INHIBITORS Genentech, Inc. (US) 2008-09-17 EP disclosed
WO-2007120339-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2007-10-25 WO disclosed
WO-2007120339-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2007-10-25 WO disclosed
WO-2007022102-A2 PENTACYCLIC KINASE INHIBITORS GENENTECH, INC. (US) 2007-02-22 WO disclosed
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals HOFFMAN-LAROUCHE, INC. 2007-02-15 US disclosed
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals HOFFMAN-LAROUCHE, INC. 2007-02-15 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 (2 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-20080318989-A1 Pyrimidine Kinase Inhibitors DCK, DTYMK, TK1 MDM2 1238/4885PTGDR2 3146/4885ALDH1A1 2990/4885
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals RAF1, CHEK1, BRAF MDM2 459/4885PTGDR2 2908/4885ALDH1A1 2759/4885

“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.