SCHEMBL9895796

SCHEMBL9895796

CC(C)(C)Cn1nnc2c(Br)c(Oc3ncc(Cl)cc3CN3CCn4c(nnc4C(F)(F)F)C3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
SLC2A1 P11166 1/20 0.34
RORC P51449 2/20 0.34
CYP8B1 Q9UNU6 3/20 0.33
DPP4 P27487 3/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP8 Q6V1X1 1/20 0.31
RIPK1 Q13546 2/20 0.30
EGFR P00533 1/20 0.30
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30

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
SCHEMBL9897150 0.85 DDR1 (0.38) RORC
SCHEMBL9896083 0.80 DDR1 (0.35)
SCHEMBL9895756 0.80
SCHEMBL9895757 0.80 MAPK14 (0.32)
SCHEMBL9895826 0.78 HSP90AA1 (0.34)
SCHEMBL9895523 0.78 GRM2 (0.33)
SCHEMBL9895943 0.76 GRM2 (0.39) RORC
SCHEMBL9896006 0.73 GRM2 (0.36)
SCHEMBL9894611 0.73 GRM2 (0.42)
SCHEMBL9896223 0.73 GRM2 (0.41)

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-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US claimed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US claimed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 BRD4 148/4885SLC2A1 847/4885RORC 483/4885

“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.