SCHEMBL17818689

SCHEMBL17818689

COc1cnc(-c2cc(OC)n(Cc3ccccc3F)n2)nc1Nc1ccncn1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 18/20 0.55
▸ GUCY1B2 O75343 2/20 0.44
▸ GUCY1A2 P33402 2/20 0.44
▸ GUCY1A1 Q02108 2/20 0.44
▸ GUCY1B1 Q02153 2/20 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
SCHEMBL15059805 0.89 BUB1 (0.69) BUB1
SCHEMBL16178608 0.83 BUB1 (0.66) BUB1
SCHEMBL15055820 0.83 BUB1 (0.73) BUB1
SCHEMBL17508608 0.82 BUB1 (0.80) BUB1
SCHEMBL15056247 0.82 BUB1 (0.73) BUB1
SCHEMBL18887524 0.81 BUB1 (0.59) BUB1
SCHEMBL16324219 0.81 GUCY1B2 (0.45) BUB1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL15075373 0.79 GUCY1B2 (0.53) BUB1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16178664 0.78 BUB1 (0.66) BUB1
SCHEMBL16806829 0.75 GUCY1B2 (0.51) BUB1GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168130-A1 HETEROARYL SUBSTITUTED PYRAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-16 — — US claimed
US-20160168130-A1 HETEROARYL SUBSTITUTED PYRAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-16 — — US disclosed
US-20160168130-A1 HETEROARYL SUBSTITUTED PYRAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-16 — — US disclosed
US-20160168130-A1 HETEROARYL SUBSTITUTED PYRAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-16 — — US 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-20160168130-A1 HETEROARYL SUBSTITUTED PYRAZOLES BUB1, BUB1B, BUB3 BUB1 1/4885GUCY1B2 4070/4885GUCY1A2 4046/4885

“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.

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