SCHEMBL2316443

SCHEMBL2316443

CCc1c(-c2ccc(OCCN(C)C)cc2)n(S(=O)(=O)c2ccc(C)cc2)c2ncc3cnn(C)c3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ACHE P22303 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ LSS P48449 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCND2 P30279 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ MMP1 P03956 1/20 0.32
▸ MMP9 P14780 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
SCHEMBL2317810 0.90 ALDH1A1 (0.36) ALDH1A1TP53TSHRMAPK1HTT
SCHEMBL2318609 0.88 MAPT (0.41) ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL2321835 0.85 CA12 (0.42) ACHEADORA3ADORA2AADORA2BADORA1
SCHEMBL2318721 0.81 MTOR (0.34) —
SCHEMBL2319171 0.81 ESRRG (0.41) ESRRGALDH1A1TP53TSHRMAPK1
SCHEMBL16245259 0.80 PIK3CA (0.37) ALDH1A1SMN1; SMN2ADORA2B
SCHEMBL2317311 0.79 EED (0.34) TP53
SCHEMBL16245234 0.78 NR1H3 (0.36) ALDH1A1
SCHEMBL2317026 0.78 KDM4E (0.42) ALDH1A1TSHRSMN1; SMN2
SCHEMBL1932784 0.77 PTGDR2 (0.34) ALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 ESRRG 2000/4885ALDH1A1 305/4885TP53 573/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 ESRRG 2000/4885ALDH1A1 305/4885TP53 573/4885

“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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