SCHEMBL29953832

SCHEMBL29953832

CC(C)(OCCN1CCOCC1)c1ccc2c(I)cnn2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
PRKAB2 O43741 6/20 0.37
PRKAG1 P54619 6/20 0.37
PRKAA2 P54646 6/20 0.37
PRKAA1 Q13131 6/20 0.37
PRKAG3 Q9UGI9 6/20 0.37
PRKAG2 Q9UGJ0 6/20 0.37
PRKAB1 Q9Y478 6/20 0.37
ALDH1A1 P00352 5/20 0.36
CSF1R P07333 1/20 0.36
KIT P10721 1/20 0.36
FLT1 P17948 4/20 0.36
KDR P35968 4/20 0.36
FLT4 P35916 3/20 0.36
ACVR1 Q04771 1/20 0.36
LCK P06239 2/20 0.35
SRC P12931 2/20 0.35
EPHA2 P29317 2/20 0.35
RPS6KA1 Q15418 2/20 0.35
MKNK1 Q9BUB5 2/20 0.35

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
SCHEMBL27453145 0.88 PRKAB2 (0.38) SIGMAR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29953984 0.81 SIGMAR1 (0.38) SIGMAR1ALDH1A1CSF1RLMNA
SCHEMBL22726601 0.80 SIGMAR1 (0.40) SIGMAR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29952876 0.79 TNKS (0.41)
SCHEMBL22747324 0.78 PRKAB2 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22792518 0.70 MAP4K4 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27451852 0.69 SIGMAR1 (0.35) SIGMAR1ACVR1KDM4E
SCHEMBL22726586 0.68 SIGMAR1 (0.36) SIGMAR1LMNA
SCHEMBL22726592 0.68
SCHEMBL22726968 0.67 MAP4K4 (0.37)

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-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases ONCO3R THERAPEUTICS BV (BE) 2025-08-19 US disclosed
EP-3976189-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2024-07-03 EP disclosed
US-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 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-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1B, IL1A, IL36G SIGMAR1 1927/4885PRKAB2 2018/4885PRKAG1 2718/4885
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases IL5, IL15, IL1A SIGMAR1 2798/4885PRKAB2 2788/4885PRKAG1 3344/4885

“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.