SCHEMBL2318147

SCHEMBL2318147

COCCCNC(=O)c1cccc(-c2cc3c(ncc4cnn(C)c43)[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 2/20 0.46
▸ INSR P06213 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ CAMKK2 Q96RR4 1/20 0.46
▸ IKBKB O14920 1/20 0.42
▸ ULK1 O75385 1/20 0.40
▸ PRKD1 Q15139 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ HPGDS O60760 2/20 0.39
▸ TP53 P04637 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ACSS2 Q9NR19 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37

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
SCHEMBL2316416 0.87 CHUK (0.47) CHUKIKBKBTP53
SCHEMBL2320005 0.84 CDK8 (0.48) CHUKIKBKBULK1FYNCDK8
SCHEMBL2319140 0.83 MAP4K4 (0.52) MAPK8ULK1HPGDSCYP1A2CYP2D6
SCHEMBL2316854 0.80 CHUK (0.64) CHUKIKBKBADORA2ACYP2C9
SCHEMBL12389859 0.78 SYK (0.42) CHUKIKBKBALDH1A1
SCHEMBL2322300 0.77 RIPK1 (0.45) ALDH1A1
SCHEMBL2319300 0.76 IKBKB (0.61) CHUKINSRMAPK8CAMKK2IKBKB
SCHEMBL2319254 0.76 KDM4E (0.39) ALDH1A1ADORA2A
SCHEMBL12557112 0.74 AURKA (0.41) CHUKIKBKB
SCHEMBL2321701 0.74 CHUK (0.46) CHUKINSRMAPK8CAMKK2IKBKB

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 CHUK 45/4885INSR 152/4885MAPK8 1587/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 CHUK 45/4885INSR 152/4885MAPK8 1587/4885

“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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