SCHEMBL16693496

SCHEMBL16693496

Nc1nc(-c2nn(Cc3ccccc3F)c3ccccc23)ns1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 17/20 0.53
CHRM1 P11229 1/20 0.44
GUCY1A1 Q02108 1/20 0.44
GUCY1B1 Q02153 1/20 0.44

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
SCHEMBL16096773 0.82 BUB1 (0.55) BUB1CHRM1GUCY1A1GUCY1B1
SCHEMBL16686978 0.81 BUB1 (0.51) BUB1
SCHEMBL16693502 0.79 BUB1 (0.68) BUB1
SCHEMBL14843837 0.76 BUB1 (0.67) BUB1
SCHEMBL13865202 0.74 BUB1 (0.53) BUB1CHRM1
SCHEMBL14843520 0.74 BUB1 (0.68) BUB1
SCHEMBL6214026 0.73 BUB1 (0.53) BUB1
SCHEMBL7816730 0.73 BUB1 (0.54) BUB1
SCHEMBL16101539 0.73 BUB1 (0.51) BUB1GUCY1A1GUCY1B1
SCHEMBL13865222 0.72 BUB1 (0.48) BUB1CHRM1

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-9682974-B2 Heteroaryl substituted pyrazoles BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-20 US disclosed
US-9682974-B2 Heteroaryl substituted pyrazoles BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-20 US disclosed
US-9682974-B2 Heteroaryl substituted pyrazoles BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-20 US disclosed
US-20160326159-A1 HETEROARYL SUBSTITUTED PYRAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 US disclosed
US-20160326159-A1 HETEROARYL SUBSTITUTED PYRAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 US disclosed
US-20160326159-A1 HETEROARYL SUBSTITUTED PYRAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 US disclosed
WO-2015063003-A1 HETEROARYL SUBSTITUTED PYRAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-07 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-20160326159-A1 HETEROARYL SUBSTITUTED PYRAZOLES CYP3A43, CYP2C19, CYP3A7 BUB1 2630/4885CHRM1 2933/4885GUCY1A1 3546/4885

“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.