SCHEMBL16769800

SCHEMBL16769800

Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4cn([C@@H]5CCCNC5)c5ncnc(N)c45)cc3)c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 0.58
▸ LCK P06239 9/20 0.58
▸ TEK Q02763 7/20 0.51
▸ EGFR P00533 6/20 0.51
▸ ABL1 P00519 4/20 0.51
▸ ABL2 P42684 4/20 0.51
▸ KDR P35968 4/20 0.51
▸ BTK Q06187 3/20 0.51
▸ FYN P06241 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ RGS12 O14924 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ GMNN O75496 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ LYN P07948 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51

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
SCHEMBL16769981 1.00 SRC (0.58) SRCLCKTEKEGFRABL1
SCHEMBL16769962 0.87 LCK (0.63) SRCLCKTEKEGFRABL1
SCHEMBL16769691 0.86 SRC (0.56) SRCLCKTEKEGFRABL1
SCHEMBL18268660 0.86 BTK (0.53) SRCLCKTEKEGFRABL1
SCHEMBL16769797 0.85 LCK (0.48) SRCLCKTEKEGFRABL1
SCHEMBL16769918 0.84 BTK (0.52) SRCLCKTEKEGFRABL1
SCHEMBL16769953 0.83 BTK (0.47) SRCLCKTEKEGFRKDR
SCHEMBL16769926 0.83 BTK (0.47) SRCLCKTEKEGFRKDR
SCHEMBL16769946 0.82 LCK (0.51) SRCLCKTEKEGFRABL1
SCHEMBL18925747 0.81 SRC (0.60) SRCLCKTEKEGFRABL1

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 SRC 3/4885LCK 2/4885TEK 1662/4885

“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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