SCHEMBL16296404

SCHEMBL16296404

CCOC(=O)c1cccc(-c2cn3nc(N)nc3cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
DYRK3 O43781 1/20 0.45
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
CDK5 Q00535 1/20 0.45
DYRK1A Q13627 1/20 0.45
CDK5R1 Q15078 1/20 0.45
DYRK2 Q92630 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
BRAF P15056 2/20 0.45
CSNK1D P48730 2/20 0.45

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
SCHEMBL1933631 0.86 PIK3CG (0.47) NPC1RAB9ADYRK3CCNT1CCNA2
SCHEMBL16295121 0.83 ATR (0.45) DYRK1ADYRK1B
SCHEMBL16296380 0.77 TTK (0.61) JMJD6BRAF
SCHEMBL1279515 0.77 LMNA (0.51) NPC1RAB9ABRAF
SCHEMBL851716 0.73 NPC1 (0.51) NPC1RAB9A
SCHEMBL29617015 0.72 TP53 (0.62) NPC1RAB9A
SCHEMBL12592133 0.72 MAPT (0.55) NPC1RAB9A
SCHEMBL16296161 0.71 PIK3CG (0.39)
SCHEMBL4193217 0.71 TP53 (0.61)
SCHEMBL12924133 0.71 NPC1 (0.52) NPC1RAB9ABRAF

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 6 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 disclosed
US-20160207928-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US disclosed
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 JMJD6 3934/4885NPC1 762/4885RAB9A 1650/4885

“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.