SCHEMBL13579643

SCHEMBL13579643

CCCOc1ccc(-c2nnc3cnc4[nH]ccc4n23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ JAK1 P23458 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ PRKCA P17252 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ PDE2A O00408 8/20 0.41
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CACNA2D1 P54289 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP19A1 P11511 1/20 0.38

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
SCHEMBL13579634 0.95 AURKA (0.46) AURKAJAK2JAK1KDRFLT3
Trifluoroacetic Acid SCHEMBL17220317 0.91 AURKA (0.39) AURKAJAK2JAK1KDRFLT3
SCHEMBL13579642 0.91 AURKA (0.47) AURKAJAK2JAK1KDRFLT3
Trifluoroacetic Acid SCHEMBL17220018 0.87 PDE2A (0.41) AURKAJAK2JAK1KDRFLT3
SCHEMBL13579637 0.85 KDR (0.49) AURKAJAK2JAK1KDRFLT3
SCHEMBL13579623 0.82 AURKA (0.53) AURKAJAK2JAK1KDRFLT3
Trifluoroacetic Acid SCHEMBL17220085 0.82 AURKA (0.40) AURKAJAK2JAK1KDRFLT3
SCHEMBL13579638 0.82 AURKA (0.44) AURKAJAK2JAK1KDRFLT3
SCHEMBL13579640 0.81 AURKA (0.47) AURKAJAK2JAK1KDRFLT3
SCHEMBL13579619 0.79 KDR (0.51) AURKAJAK2JAK1KDRFLT3

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 AURKA 1195/4885JAK2 331/4885JAK1 1259/4885
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 AURKA 1195/4885JAK2 331/4885JAK1 1259/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 AURKA 1195/4885JAK2 331/4885JAK1 1259/4885

“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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