SCHEMBL2949403

SCHEMBL2949403

OCCCNc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 1.00
CCNT1 O60563 5/20 0.65
CDK9 P50750 5/20 0.65
CDK5 Q00535 5/20 0.65
CDK5R1 Q15078 5/20 0.65
CCNA2 P20248 4/20 0.65
CDK2 P24941 4/20 0.65
DYRK3 O43781 4/20 0.65
DYRK1A Q13627 4/20 0.65
DYRK2 Q92630 4/20 0.65
DYRK1B Q9Y463 4/20 0.65
MKNK1 Q9BUB5 3/20 0.63
ABL1 P00519 1/20 0.58
PGK1 P00558 1/20 0.58
CDK1 P06493 1/20 0.58
PIM1 P11309 1/20 0.58
CCNB1 P14635 1/20 0.58
CSNK1E P49674 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58

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
SCHEMBL30521877 1.00 FYN (1.00) FYNCCNT1CDK9CDK5CDK5R1
SCHEMBL16010383 0.94 FYN (0.88) FYNCCNT1CDK9CDK5CDK5R1
Monoethanolamine SCHEMBL16009854 0.90 FYN (0.81) FYNCCNT1CDK9CDK5CDK5R1
SCHEMBL16010655 0.90 FYN (0.81) FYNCCNT1CDK9CDK5CDK5R1
SCHEMBL13234623 0.88 FYN (0.79) FYNCCNT1CDK9CDK5CDK5R1
SCHEMBL2941614 0.86 FYN (0.75) FYNCCNT1CDK9CDK5CDK5R1
SCHEMBL16009360 0.83 FYN (0.71) FYNCCNT1CDK9CDK5CDK5R1
SCHEMBL2948921 0.83 FYN (0.71) FYNCCNT1CDK9CDK5CDK5R1
SCHEMBL16009430 0.82 FYN (0.70) FYNCCNT1CDK9CDK5CDK5R1
SCHEMBL2943291 0.82 FYN (0.69) FYNCCNT1CDK9CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180250297-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors Pathways Neuro Pharma, Inc. 2018-09-06 US claimed
EP-3347462-A1 METHODS, COMPOSITIONS, AND USES OF NOVEL FYN KINASE INHIBITORS Lau, Warren C. (US) 2018-07-18 EP claimed
WO-2017044623-A1 METHODS, COMPOSITIONS, AND USES OF NOVEL FYN KINASE INHIBITORS LAU WARREN C (US) 2017-03-16 WO 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-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 US disclosed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 US disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 US disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 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 1/4885CCNT1 4406/4885CDK9 701/4885
US-11701353-B2 Methods, compositions, and uses of novel FYN kinase inhibitors FYN, LCK, PTK2B FYN 1/4885CCNT1 4406/4885CDK9 701/4885
US-10688093-B2 Methods, compositions, and uses of novel Fyn kinase inhibitors FYN, LCK, PTK2B FYN 1/4885CCNT1 4406/4885CDK9 701/4885
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments MAP4K2, MAP3K1, MAP3K2 FYN 421/4885CCNT1 773/4885CDK9 201/4885
US-20210030753-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors FYN, LCK, PTK2B FYN 1/4885CCNT1 4406/4885CDK9 701/4885

“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.