SCHEMBL20788515

SCHEMBL20788515

COCOc1ccc(-c2ccc(N)c(-c3ccccc3C(N)=O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 5/20 0.53
▸ IKBKB O14920 1/20 0.45
▸ CHEK2 O96017 3/20 0.44
▸ EGFR P00533 1/20 0.41
▸ CHEK1 O14757 3/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ BCAT2 O15382 1/20 0.39
▸ FGFR1 P11362 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL20788520 0.83 FYN (0.46) FYNCHEK2EGFRPARP1FGFR1
SCHEMBL20788509 0.78 IKBKB (0.55) FYNIKBKBCHEK1BCAT2BRD4
SCHEMBL4966792 0.71 BCAT2 (0.59) BCAT2NPC1RAB9A
SCHEMBL20788513 0.71 HDAC2 (0.76) HDAC2
SCHEMBL18613475 0.69 FYN (1.00) FYNCHEK2CHEK1
SCHEMBL4260834 0.69 MAPT (0.56) FYNNPC1RAB9A
SCHEMBL4963646 0.69 BCAT2 (0.65) PARP1BCAT2FGFR1SRCFGFR2
SCHEMBL30521908 0.68 FYN (1.00) FYNCHEK2CHEK1
SCHEMBL18613268 0.68 FYN (1.00) FYNCHEK2CHEK1
SCHEMBL5306467 0.68 IKBKB (0.65) IKBKBCHEK2CHEK1PARP1HDAC2

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-20190076552-A1 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases INSTITUTE OF NUCLEAR ENERGY RESEARCH, NUCLEAR ENERGY COUNCIL, EXECUTIVE YUAN (TW) 2019-03-14 — — US claimed
US-10507250-B2 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases INSTITUTE OF NUCLEAR ENERGY RESEARCH, ATOMIC ENERGY COUNCIL, EXECUTIVE YUAN (TW) 2019-12-17 — — US disclosed
US-20190076552-A1 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases INSTITUTE OF NUCLEAR ENERGY RESEARCH, NUCLEAR ENERGY COUNCIL, EXECUTIVE YUAN (TW) 2019-03-14 — — 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 (2 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-10507250-B2 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases H1-3, H1-2, HDAC2 FYN 3784/4885IKBKB 1640/4885CHEK2 1824/4885
US-20190076552-A1 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases H1-3, H1-2, HDAC2 FYN 3784/4885IKBKB 1640/4885CHEK2 1824/4885

“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.

Send feedback