SCHEMBL16099433

SCHEMBL16099433

COc1cnc(-c2nn(Cc3cscn3)c3ccccc23)nc1Nc1ccncc1C(N)=O

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 20/20 0.74
SLC28A1 O00337 1/20 0.54
STK10 O94804 1/20 0.54
HTR1A P08908 1/20 0.54
DDR1 Q08345 1/20 0.54
CDC42BPG Q6DT37 1/20 0.54

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
SCHEMBL16129140 0.86 BUB1 (0.86) BUB1
SCHEMBL14853689 0.85 BUB1 (1.00) BUB1
SCHEMBL19357139 0.85 BUB1 (0.74) BUB1SLC28A1STK10HTR1ADDR1
SCHEMBL14843578 0.85 BUB1 (1.00) BUB1
SCHEMBL19357198 0.84 BUB1 (0.72) BUB1SLC28A1STK10HTR1ADDR1
SCHEMBL19357179 0.84 BUB1 (0.75) BUB1SLC28A1STK10HTR1ADDR1
SCHEMBL19357181 0.84 BUB1 (0.72) BUB1SLC28A1STK10HTR1ADDR1
SCHEMBL19357261 0.84 BUB1 (0.72) BUB1SLC28A1STK10HTR1ADDR1
SCHEMBL19357299 0.84 BUB1 (0.74) BUB1SLC28A1STK10HTR1ADDR1
SCHEMBL19357298 0.84 BUB1 (0.74) BUB1SLC28A1STK10HTR1ADDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275268-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US claimed
US-20160046604-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-18 US claimed
EP-2976335-A1 HETEROARYL SUBSTITUTED INDAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP claimed
WO-2014147204-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO claimed
US-20170275268-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170275268-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170275268-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20160046604-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-18 US disclosed
US-20160046604-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-18 US disclosed
US-20160046604-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-18 US disclosed
EP-2976335-A1 HETEROARYL SUBSTITUTED INDAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
WO-2014147204-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
WO-2014147204-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 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 (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-20170275268-A1 HETEROARYL SUBSTITUTED INDAZOLES BUB1, BUB1B, BUB3 BUB1 1/4885SLC28A1 3923/4885STK10 239/4885
US-20160046604-A1 HETEROARYL SUBSTITUTED INDAZOLES BUB1, BUB1B, BUB3 BUB1 1/4885SLC28A1 3942/4885STK10 211/4885

“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.