SCHEMBL13579635

SCHEMBL13579635

COc1cccc(-c2nnc3cnc4[nH]ccc4n23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ PIM1 P11309 1/20 0.43
▸ MAPT P10636 5/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ KIT P10721 2/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ USP2 O75604 1/20 0.39

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 SCHEMBL17220143 0.90 MAPT (0.41) MAPTRAB9AHIF1ADYRK1ALRRK2
SCHEMBL13579637 0.86 KDR (0.49) AURKAJAK2PRKCAJAK1TYK2
SCHEMBL13579641 0.86 KDR (0.48) AURKAJAK2PRKCAJAK1TYK2
SCHEMBL13579627 0.86 PIM1 (0.46) AURKAJAK2PRKCAJAK1TYK2
SCHEMBL13579619 0.82 KDR (0.51) AURKAJAK2PRKCAJAK1TYK2
SCHEMBL13579633 0.81 AURKA (0.51) AURKAJAK2PRKCAJAK1TYK2
Trifluoroacetic Acid SCHEMBL17220079 0.80 PIM1 (0.43) PIM1DYRK1A
SCHEMBL13579640 0.80 AURKA (0.47) AURKAJAK2PRKCAJAK1TYK2
SCHEMBL13579647 0.79 KDM4E (0.49) AURKAJAK2PRKCAJAK1TYK2
SCHEMBL13579623 0.78 AURKA (0.53) AURKAJAK2PRKCAJAK1TYK2

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 331/4885PRKCA 3641/4885
US-20160326181-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 AURKA 1195/4885JAK2 331/4885PRKCA 3641/4885
US-20150210708-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 AURKA 1195/4885JAK2 331/4885PRKCA 3641/4885

“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.

Send feedback