SCHEMBL3033217

SCHEMBL3033217

c1ccc(CNc2ccc3ncc(-c4ccncc4)n3n2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 1.00
MKNK1 Q9BUB5 4/20 0.74
JAK2 O60674 1/20 0.54
ABL1 P00519 1/20 0.54
NTRK1 P04629 1/20 0.54
INSR P06213 1/20 0.54
LCK P06239 1/20 0.54
CSF1R P07333 1/20 0.54
LYN P07948 1/20 0.54
RET P07949 1/20 0.54
IGF1R P08069 1/20 0.54
MET P08581 1/20 0.54
ROS1 P08922 1/20 0.54
PDGFRB P09619 1/20 0.54
FGR P09769 1/20 0.54
KIT P10721 1/20 0.54
SRC P12931 1/20 0.54
BRAF P15056 1/20 0.54
FLT1 P17948 1/20 0.54
FGFR4 P22455 1/20 0.54

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
SCHEMBL30521930 1.00 FYN (1.00) FYNMKNK1JAK2ABL1NTRK1
Hydrochloric Acid SCHEMBL3453044 0.92 FYN (0.84) FYNMKNK1JAK2ABL1NTRK1
SCHEMBL2951796 0.88 FYN (0.79) FYNMKNK1JAK2ABL1NTRK1
SCHEMBL3043204 0.88 MKNK1 (0.87) FYNMKNK1
SCHEMBL2943865 0.87 FYN (0.78) FYNMKNK1JAK2ABL1NTRK1
SCHEMBL2942361 0.85 FYN (0.76) FYNMKNK1NTRK1NTRK3NTRK2
SCHEMBL3039017 0.85 MKNK1 (1.00) FYNMKNK1JAK2ABL1NTRK1
SCHEMBL2943228 0.84 FYN (0.72) FYNMKNK1JAK2ABL1NTRK1
SCHEMBL3041871 0.84 FYN (0.88) FYNMKNK1JAK2ABL1NTRK1
SCHEMBL13234450 0.83 FYN (1.00) FYNMKNK1JAK2ABL1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210030753-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors Pathways Neuro Pharma, Inc. 2021-02-04 US claimed
US-20180250297-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors Pathways Neuro Pharma, Inc. 2018-09-06 US claimed
US-11701353-B2 Methods, compositions, and uses of novel FYN kinase inhibitors Pathways Neuro Pharma, Inc. (US) 2023-07-18 US disclosed
US-11701353-B2 Methods, compositions, and uses of novel FYN kinase inhibitors Pathways Neuro Pharma, Inc. (US) 2023-07-18 US disclosed
US-20210030753-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors Pathways Neuro Pharma, Inc. 2021-02-04 US disclosed
US-10688093-B2 Methods, compositions, and uses of novel Fyn kinase inhibitors Pathways Neuro Pharma, Inc. 2020-06-23 US disclosed
US-10688093-B2 Methods, compositions, and uses of novel Fyn kinase inhibitors Pathways Neuro Pharma, Inc. 2020-06-23 US disclosed
US-20180250297-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors Pathways Neuro Pharma, Inc. 2018-09-06 US disclosed
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 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 (5 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-20180250297-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors FYN, LCK, PTK2B FYN 1/4885MKNK1 163/4885JAK2 206/4885
US-11701353-B2 Methods, compositions, and uses of novel FYN kinase inhibitors FYN, LCK, PTK2B FYN 1/4885MKNK1 163/4885JAK2 206/4885
US-10688093-B2 Methods, compositions, and uses of novel Fyn kinase inhibitors FYN, LCK, PTK2B FYN 1/4885MKNK1 163/4885JAK2 206/4885
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN FYN 3/4885MKNK1 816/4885JAK2 524/4885
US-20210030753-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors FYN, LCK, PTK2B FYN 1/4885MKNK1 163/4885JAK2 206/4885

“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.