SCHEMBL15613694

SCHEMBL15613694

Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nn(CCCO)c(N)c4C#N)cc3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.47
▸ GRM2 Q14416 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ SQOR Q9Y6N5 1/20 0.32
▸ AS3MT Q9HBK9 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TGFBR1 P36897 2/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL15613686 0.87 BTK (0.47) BTKGRM2SQORAS3MTKDM4E
SCHEMBL15613693 0.83 BTK (0.49) BTKGRM2SQORAS3MTKDM4E
SCHEMBL15613741 0.83 BTK (0.48) BTKGRM2SQOR
SCHEMBL15613533 0.82 BTK (0.49) BTK
SCHEMBL15613601 0.81 BTK (0.34) BTKBRD4TGFBR1
SCHEMBL15613747 0.80 BTK (0.48) BTK
SCHEMBL15613536 0.76 BTK (0.50) BTKKDM4ECYP1A2CYP3A4
SCHEMBL15613635 0.75 BTK (0.41) BTKGRM2SQOR
SCHEMBL15613667 0.75 BTK (0.38) BTKKDM4ECYP1A2CYP3A4
SCHEMBL15613584 0.75 BTK (0.38) BTKSQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 — — US disclosed
US-20150191473-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2015-07-09 — — US disclosed
WO-2013177668-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2013-12-05 — — 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-20150191473-A1 PROTEIN KINASE INHIBITORS TEC, SRC, LCK BTK 10/4885GRM2 3960/4885BRD4 568/4885

“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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