SCHEMBL9894929

SCHEMBL9894929

O=C1CN(Cc2cc(Cl)cnc2Oc2ccc3c(nnn3CC3CC3)c2Br)CCN1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
FGFR1 P11362 1/20 0.32
ADCY10 Q96PN6 1/20 0.32
DDR1 Q08345 1/20 0.32
CNR2 P34972 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL9895643 0.94 GRM2 (0.37) GRM2CNR2
SCHEMBL9896145 0.91 GRM2 (0.40) GRM2DDR1
SCHEMBL9897688 0.89 GRM2 (0.38) GRM2CNR2
SCHEMBL9894611 0.86 GRM2 (0.42) GRM2CNR2
SCHEMBL9896223 0.86 GRM2 (0.41) GRM2CNR2
SCHEMBL9896706 0.85 GRM2 (0.41) GRM2
SCHEMBL9895813 0.84 GRM2 (0.39) GRM2
SCHEMBL9895047 0.84 GRM2 (0.39) GRM2JAK2JAK1TYK2CNR2
SCHEMBL9896904 0.84 CCR5 (0.41) GRM2PDCD1CD274
SCHEMBL9896369 0.84 GRM2 (0.40) GRM2

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-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-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 GRM2 1/4885JAK2 974/4885JAK1 2403/4885

“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.