SCHEMBL16295446

SCHEMBL16295446

Cc1cc(-c2cn3nc(Nc4ccccc4C#N)nc3cn2)cc(C)c1O

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TTK P33981 17/20 0.75
LRRK2 Q5S007 3/20 0.56
JAK2 O60674 1/20 0.41

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
SCHEMBL1932188 0.86 TTK (1.00) TTKLRRK2JAK2
SCHEMBL16295745 0.83 TTK (0.74) TTKLRRK2JAK2
SCHEMBL16295250 0.82 TTK (0.54) TTKLRRK2
SCHEMBL16295859 0.82 TTK (0.60) TTK
SCHEMBL16296380 0.80 TTK (0.61) TTK
SCHEMBL16296012 0.80 TTK (0.69) TTKJAK2
SCHEMBL16296013 0.79 TTK (0.80) TTKLRRK2JAK2
SCHEMBL16296295 0.77 TTK (0.53) TTKLRRK2
SCHEMBL16296043 0.77 TTK (0.59) TTK
SCHEMBL1932638 0.77 TTK (0.75) TTKLRRK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207928-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US claimed
EP-3008061-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER Bayer Pharma Aktiengesellschaft (DE) 2016-04-20 EP claimed
WO-2014198594-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 WO claimed
US-20160207928-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US disclosed
EP-3008061-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER Bayer Pharma Aktiengesellschaft (DE) 2016-04-20 EP disclosed
WO-2014198594-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 WO disclosed
WO-2014198594-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 WO 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 (1 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-20160207928-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BUB1B, PLK1, BRCA1 TTK 98/4885LRRK2 718/4885JAK2 699/4885

“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.