SCHEMBL23830307

SCHEMBL23830307

COc1ncc(F)cc1Cn1nc(C(=O)NCC2(O)CC2)c2ncc(C)cc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 2/20 0.36
PDE6A P16499 2/20 0.36
PDE6G P18545 2/20 0.36
PDE6B P35913 2/20 0.36
PDE6C P51160 2/20 0.36
PDE6H Q13956 2/20 0.36
RORC P51449 14/20 0.35
P2RX7 Q99572 3/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL23830354 0.89 SCN9A (0.36) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL23830367 0.88 PDE6D (0.35) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL23830336 0.86 RORC (0.35) RORCP2RX7
SCHEMBL23830378 0.85 CSF1R (0.41) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL23830374 0.84 RORC (0.36) RORCP2RX7
SCHEMBL23830327 0.82 PDE6D (0.52) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL23830390 0.82 P2RX7 (0.34) RORCP2RX7
SCHEMBL23830274 0.81 P2RX7 (0.38) RORCP2RX7
SCHEMBL23830351 0.77 P2RX7 (0.35) RORCP2RX7
SCHEMBL23830280 0.76 PDE6D (0.44) PDE6DPDE6APDE6GPDE6BPDE6C

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-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA CADILA HEALTHCARE LIMITED (IN) 2021-09-23 US claimed
CN-112543757-A Condensed azaheteroaryl compounds having antibacterial activity against tubercle bacillus 卡迪拉保健有限公司 2021-03-23 CN claimed
US-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA CADILA HEALTHCARE LIMITED (IN) 2021-09-23 US disclosed
CN-112543757-A Condensed azaheteroaryl compounds having antibacterial activity against tubercle bacillus 卡迪拉保健有限公司 2021-03-23 CN 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 (1 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-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA DPEP1, SAT1, PEPD PDE6D 3804/4885PDE6A 1704/4885PDE6G 2530/4885

“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.