SCHEMBL16100644

SCHEMBL16100644

Nc1cc(Nc2ccncc2)nc(-c2nn(Cc3ccccc3F)c3ccccc23)n1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 20/20 0.76

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
SCHEMBL17511177 0.94 BUB1 (0.81) BUB1
SCHEMBL14843426 0.86 BUB1 (1.00) BUB1
SCHEMBL16105026 0.86 BUB1 (0.67) BUB1
SCHEMBL17511171 0.86 BUB1 (0.69) BUB1
SCHEMBL16096773 0.85 BUB1 (0.55) BUB1
SCHEMBL16103130 0.83 BUB1 (0.80) BUB1
SCHEMBL17511168 0.82 BUB1 (0.64) BUB1
SCHEMBL16103107 0.82 BUB1 (0.59) BUB1
SCHEMBL16102644 0.81 BUB1 (0.52) BUB1
SCHEMBL16129097 0.80 BUB1 (0.51) BUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283396-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-05 US claimed
US-20160052912-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US claimed
US-20170283396-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-05 US disclosed
US-20170283396-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-05 US disclosed
US-20170283396-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-05 US disclosed
US-20160052912-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
EP-2976334-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
WO-2014147144-A1 DIAMINOHETEROARYL 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-20170283396-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES BUB1, BUB1B, BUB3 BUB1 1/4885
US-20160052912-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES BUB1, BUB1B, BUB3 BUB1 1/4885

“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.