SCHEMBL16769918

SCHEMBL16769918

CC(=O)N1CCC[C@@H](n2cc(-c3ccc(Oc4cc(F)cc(OCc5cnc(C)nc5)c4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.52
▸ SRC P12931 5/20 0.48
▸ KDR P35968 3/20 0.48
▸ EGFR P00533 2/20 0.48
▸ LCK P06239 2/20 0.48
▸ FYN P06241 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ RGS12 O14924 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ GMNN O75496 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ LYN P07948 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL18925747 0.92 SRC (0.60) BTKSRCKDREGFRLCK
SCHEMBL16769691 0.84 SRC (0.56) BTKSRCKDREGFRLCK
SCHEMBL16769800 0.84 SRC (0.58) BTKSRCKDREGFRLCK
SCHEMBL16769981 0.84 SRC (0.58) BTKSRCKDREGFRLCK
SCHEMBL16769962 0.84 LCK (0.63) BTKSRCKDREGFRLCK
SCHEMBL16769797 0.83 LCK (0.48) BTKSRCKDREGFRLCK
SCHEMBL16769796 0.83 BTK (0.55) BTKSRCLCKFYNLYN
SCHEMBL16769946 0.81 LCK (0.51) BTKSRCKDREGFRLCK
SCHEMBL18268996 0.81 BTK (0.62) BTKSRCKDREGFRLCK
SCHEMBL18268844 0.79 EGFR (0.74) BTKSRCKDREGFRLCK

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-20170158697-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2017-06-08 — — US disclosed
US-20170158697-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2017-06-08 — — US disclosed
WO-2015077866-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2015-06-04 — — 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-20170158697-A1 Protein Kinase Inhibitors TEC, LCK, SRC BTK 6/4885SRC 3/4885KDR 2463/4885

“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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