SCHEMBL2315003

SCHEMBL2315003

COc1ccc2c(c1)c(-c1cc3c(ncc4cnn(C)c43)[nH]1)cn2CC(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ G6PD P11413 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ LCK P06239 2/20 0.41
▸ IGF1R P08069 2/20 0.41
▸ GSK3A P49840 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ CDK7 P50613 2/20 0.41
▸ LRRK2 Q5S007 2/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ RET P07949 1/20 0.41
▸ MET P08581 1/20 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
SCHEMBL2317778 0.92 P2RY12 (0.47) GRIN2BGRIN1RAB9ALCKIGF1R
SCHEMBL2316649 0.88 CNR2 (0.45) RAB9AALDH1A1LCKIGF1RGSK3A
SCHEMBL2317230 0.87 LCK (0.46) RAB9AALDH1A1LCKIGF1RGSK3A
SCHEMBL2316799 0.84 CDK9 (0.44) LCKIGF1RGSK3AGSK3BCDK7
SCHEMBL2320038 0.82 GSK3B (0.48) ALDH1A1LCKIGF1RGSK3AGSK3B
SCHEMBL14427643 0.82 G6PD (0.47) GRIN2BGRIN1RAB9AG6PDALDH1A1
SCHEMBL2317215 0.82 GRIN2B (0.43) GRIN2BGRIN1ALDH1A1LCKIGF1R
SCHEMBL14427676 0.82 RAB9A (0.45) GRIN2BGRIN1RAB9AG6PDALDH1A1
SCHEMBL1778184 0.81 RAB9A (0.49) GRIN2BGRIN1RAB9AG6PDALDH1A1
SCHEMBL1777907 0.81 GSK3A (0.58) GRIN2BGRIN1RAB9AG6PDALDH1A1

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-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US claimed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 — — WO 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 GRIN2B 1227/4885GRIN1 1373/4885RAB9A 3628/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 GRIN2B 1227/4885GRIN1 1373/4885RAB9A 3628/4885

“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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