SCHEMBL13579637

SCHEMBL13579637

COc1ccc(-c2nnc3cnc4[nH]ccc4n23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.49
▸ AURKA O14965 2/20 0.49
▸ JAK2 O60674 2/20 0.49
▸ JAK1 P23458 2/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ PRKCA P17252 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PDE2A O00408 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 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
Trifluoroacetic Acid SCHEMBL17220420 0.90 AURKA (0.42) KDRAURKAJAK2JAK1FLT3
SCHEMBL13579642 0.88 AURKA (0.47) KDRAURKAJAK2JAK1FLT3
SCHEMBL13579623 0.87 AURKA (0.53) KDRAURKAJAK2JAK1FLT3
SCHEMBL13579635 0.86 AURKA (0.44) KDRAURKAJAK2JAK1FLT3
SCHEMBL13579643 0.85 AURKA (0.46) KDRAURKAJAK2JAK1FLT3
SCHEMBL13579634 0.85 AURKA (0.46) KDRAURKAJAK2JAK1FLT3
SCHEMBL13579640 0.85 AURKA (0.47) KDRAURKAJAK2JAK1FLT3
SCHEMBL13579619 0.82 KDR (0.51) KDRAURKAJAK2JAK1FLT3
SCHEMBL13579644 0.82 AURKA (0.49) KDRAURKAJAK2JAK1FLT3
SCHEMBL13579633 0.82 AURKA (0.51) KDRAURKAJAK2JAK1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 — — US disclosed
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-11-10 — — US disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 — — US disclosed
US-9365579-B2 Tricyclic compounds ABBVIE INC. (US) 2016-06-14 — — US disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 — — US disclosed
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2015-07-30 — — US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 — — US disclosed
US-8962629-B2 Tricyclic compounds ABBVIE INC. (US) 2015-02-24 — — US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 — — US disclosed
US-20090312338-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2009-12-17 — — 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 (3 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-20090312338-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 KDR 4273/4885AURKA 1195/4885JAK2 331/4885
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 KDR 4273/4885AURKA 1195/4885JAK2 331/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 KDR 4273/4885AURKA 1195/4885JAK2 331/4885

“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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