SCHEMBL13579641

SCHEMBL13579641

Cc1cccc(-c2nnc3cnc4[nH]ccc4n23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.48
▸ AURKA O14965 4/20 0.48
▸ JAK1 P23458 4/20 0.48
▸ FLT3 P36888 4/20 0.48
▸ JAK2 O60674 3/20 0.48
▸ TYK2 P29597 2/20 0.48
▸ PRKCA P17252 1/20 0.48
▸ IDO1 P14902 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PRKCI P41743 1/20 0.37
▸ CDK8 P49336 2/20 0.36
▸ AXL P30530 1/20 0.36
▸ GRIN1 Q05586 4/20 0.36
▸ GRIN2B Q13224 4/20 0.36
▸ TNIK Q9UKE5 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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 SCHEMBL17220303 0.89 KDR (0.40) KDRAURKAJAK1FLT3JAK2
SCHEMBL13579619 0.87 KDR (0.51) KDRAURKAJAK1FLT3JAK2
SCHEMBL13579633 0.86 AURKA (0.51) KDRAURKAJAK1FLT3JAK2
SCHEMBL13579635 0.86 AURKA (0.44) KDRAURKAJAK1FLT3JAK2
SCHEMBL13579623 0.86 AURKA (0.53) KDRAURKAJAK1FLT3JAK2
SCHEMBL13579647 0.84 KDM4E (0.49) KDRAURKAJAK1FLT3JAK2
SCHEMBL13579627 0.82 PIM1 (0.46) KDRAURKAJAK1FLT3JAK2
SCHEMBL13579637 0.79 KDR (0.49) KDRAURKAJAK1FLT3JAK2
SCHEMBL13579644 0.79 AURKA (0.49) KDRAURKAJAK1FLT3JAK2
SCHEMBL13579630 0.78 JAK1 (0.48) KDRAURKAJAK1FLT3JAK2

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 1195/4885JAK1 1259/4885
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 KDR 4273/4885AURKA 1195/4885JAK1 1259/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 KDR 4273/4885AURKA 1195/4885JAK1 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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