SCHEMBL16096773

SCHEMBL16096773

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

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 16/20 0.55
GUCY1A1 Q02108 2/20 0.47
GUCY1B1 Q02153 2/20 0.47
CHRM1 P11229 1/20 0.47

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
SCHEMBL16101539 0.86 BUB1 (0.51) BUB1GUCY1A1GUCY1B1
SCHEMBL16102644 0.85 BUB1 (0.52) BUB1GUCY1A1GUCY1B1
SCHEMBL16100644 0.85 BUB1 (0.76) BUB1
SCHEMBL16103107 0.85 BUB1 (0.59) BUB1
SCHEMBL27557124 0.83 ADORA3 (0.62) GUCY1A1GUCY1B1
SCHEMBL16693496 0.82 BUB1 (0.53) BUB1GUCY1A1GUCY1B1CHRM1
SCHEMBL17511176 0.82 BUB1 (0.49) BUB1GUCY1A1GUCY1B1
SCHEMBL16101861 0.82 BUB1 (0.48) BUB1GUCY1A1GUCY1B1
SCHEMBL14843837 0.79 BUB1 (0.67) BUB1
SCHEMBL23162014 0.79 GUCY1A1 (0.51) BUB1GUCY1A1GUCY1B1

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-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 1/4885GUCY1A1 3470/4885GUCY1B1 2728/4885
US-20160052912-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES BUB1, BUB1B, BUB3 BUB1 1/4885GUCY1A1 3470/4885GUCY1B1 2728/4885

“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.