SCHEMBL19953969

SCHEMBL19953969

Cc1cc(C(C)(C)C)n(C2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.40
KCNJ6 P48051 2/20 0.38
KCNJ5 P48544 2/20 0.38
KCNJ3 P48549 2/20 0.38
PDE7A Q13946 5/20 0.34
SSTR4 P31391 1/20 0.34
PDE4D Q08499 1/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
SPR P35270 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL24816290 0.91 CNR2 (0.37) TGFBR1KCNJ6KCNJ5KCNJ3CNR2
SCHEMBL24816260 0.86 LRRK2 (0.38) TGFBR1KCNJ6KCNJ5KCNJ3PDE4D
SCHEMBL19953968 0.85 KDM4E (0.39) KCNJ6KCNJ5KCNJ3PDE7ASIGMAR1
SCHEMBL25745817 0.85 KDM4E (0.42) KCNJ6KCNJ5KCNJ3PDE7APDE4D
SCHEMBL24815019 0.84 NTRK1 (0.37) TGFBR1SSTR4PDE4DCNR2CNR1
SCHEMBL24816259 0.84 CNR2 (0.38) TGFBR1KCNJ6KCNJ5KCNJ3SSTR4
SCHEMBL19953972 0.83 CNR2 (0.32) CNR2
SCHEMBL25745828 0.83 KDM4E (0.44) KCNJ6KCNJ5KCNJ3PDE7A
SCHEMBL24007275 0.83 RET (0.34) PDE7ASSTR4PDE4DCNR2CNR1
SCHEMBL19954631 0.80 TGFBR1 (0.43) TGFBR1SSTR4CNR2CNR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2022-12-29 US disclosed
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 US disclosed
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 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-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B TGFBR1 3289/4885KCNJ6 1732/4885KCNJ5 2274/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B TGFBR1 3289/4885KCNJ6 1732/4885KCNJ5 2274/4885

“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.