SCHEMBL15075440

SCHEMBL15075440

COc1cnc(-c2cc(N(C)C)n(Cc3ccccc3F)n2)nc1N

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 12/20 0.51
▸ GUCY1A2 P33402 12/20 0.51
▸ GUCY1A1 Q02108 12/20 0.51
▸ GUCY1B1 Q02153 12/20 0.51
▸ BUB1 O43683 6/20 0.45
▸ OPRK1 P41145 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL15075373 0.87 GUCY1B2 (0.53) GUCY1B2GUCY1A2GUCY1A1GUCY1B1BUB1
SCHEMBL15075434 0.84 GUCY1B2 (0.51) GUCY1B2GUCY1A2GUCY1A1GUCY1B1BUB1
SCHEMBL16178664 0.82 BUB1 (0.66) BUB1
SCHEMBL16906988 0.81 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437391 0.81 GUCY1B2 (0.80) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18405059 0.79 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1BUB1
SCHEMBL15055664 0.78 BUB1 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1BUB1
SCHEMBL14843520 0.76 BUB1 (0.68) BUB1
SCHEMBL16324219 0.76 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1BUB1
SCHEMBL16806869 0.75 GUCY1B2 (0.53) GUCY1B2GUCY1A2GUCY1A1GUCY1B1BUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794596-B1 SUBSTITUTED BENZYLPYRAZOLES BAYER IP GMBH (DE) 2017-05-31 — — EP disclosed
EP-2794596-B1 SUBSTITUTED BENZYLPYRAZOLES BAYER IP GMBH (DE) 2017-05-31 — — EP disclosed
US-9643953-B2 Substituted benzylpyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-05-09 — — US disclosed
US-9643953-B2 Substituted benzylpyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-05-09 — — US disclosed
US-9643953-B2 Substituted benzylpyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-05-09 — — US disclosed
US-9422268-B2 — — 2016-08-23 — — US disclosed
US-9422268-B2 — — 2016-08-23 — — US disclosed
US-9422268-B2 — — 2016-08-23 — — US disclosed
US-20140315934-A1 SUBSTITUTED BENZYLPYRAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-23 — — US disclosed
US-20140315934-A1 SUBSTITUTED BENZYLPYRAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-23 — — US disclosed
US-20140315934-A1 SUBSTITUTED BENZYLPYRAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-23 — — US disclosed
WO-2013092512-A1 SUBSTITUTED BENZYLPYRAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-27 — — 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-20140315934-A1 SUBSTITUTED BENZYLPYRAZOLES CYP3A43, CYP3A7, ABCB1 GUCY1B2 1320/4885GUCY1A2 1589/4885GUCY1A1 2593/4885

“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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