SCHEMBL3040346

SCHEMBL3040346

Cc1cc(Nc2nc(-c3ccccc3)cn3ccnc23)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 10/20 0.54
▸ SYK P43405 5/20 0.53
▸ ITK Q08881 1/20 0.50
▸ GSK3B P49841 3/20 0.48
▸ GSK3A P49840 2/20 0.48
▸ SRC P12931 2/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ EIF2AK2 P19525 1/20 0.48
▸ BTK Q06187 1/20 0.46
▸ CD63 P08962 1/20 0.46
▸ IGF1R P08069 1/20 0.44

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
SCHEMBL5174733 0.86 AURKA (0.52) AURKASYKBTKCD63
SCHEMBL3038486 0.80 IGF1R (0.42) AURKAITKAURKBIGF1R
SCHEMBL3286003 0.77 AURKB (0.53) AURKASYKITKGSK3BSRC
SCHEMBL5412238 0.77 AURKA (0.60) AURKASYKBTKCD63
SCHEMBL3028147 0.75 IGF1R (0.52) AURKASYKAURKBIGF1R
SCHEMBL13221083 0.73 GSK3B (0.53) AURKASYKITKGSK3BGSK3A
SCHEMBL802666 0.72 AURKA (0.65) AURKAGSK3BGSK3ASRCAURKB
SCHEMBL2481025 0.72 SYK (0.81) SYKCD63
SCHEMBL8246193 0.72 AURKA (0.64) AURKABTK
SCHEMBL2216977 0.71 AURKA (0.77) AURKASYKBTKCD63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 — — US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 — — US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 — — US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 — — US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 — — US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 — — US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 — — US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 — — US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 — — US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 — — EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 — — WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 — — 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AURKA 161/4885SYK 395/4885ITK 398/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 AURKA 161/4885SYK 395/4885ITK 398/4885

“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