SCHEMBL23830305

SCHEMBL23830305

COc1cnc2c(C(=O)NCC3(O)CC3)cn(Cc3cc(F)c(C)nc3C)c2n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.35
IL1B P01584 2/20 0.35
CHRM1 P11229 1/20 0.34
PDE6D O43924 3/20 0.34
PDE6A P16499 3/20 0.34
PDE6G P18545 3/20 0.34
PDE6B P35913 3/20 0.34
PDE6C P51160 3/20 0.34
PDE6H Q13956 3/20 0.34
GABRA5 P31644 1/20 0.32
NTRK1 P04629 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
SCHEMBL23830284 0.94 PDE6D (0.36) P2RX7IL1BCHRM1PDE6DPDE6A
SCHEMBL23830333 0.91 P2RX7 (0.35) P2RX7IL1BCHRM1
SCHEMBL23830271 0.87 PDE6D (0.37) P2RX7IL1BCHRM1PDE6DPDE6A
SCHEMBL23830422 0.85 P2RX7 (0.37) P2RX7IL1BCHRM1PDE6DPDE6A
SCHEMBL23830400 0.83 RORC (0.35) GABRA5
SCHEMBL23830350 0.83 P2RX7 (0.37) P2RX7IL1BCHRM1PDE6DPDE6A
SCHEMBL23830300 0.82 CHRM1 (0.36) P2RX7IL1BCHRM1PDE6DPDE6A
SCHEMBL23830311 0.81 SCN9A (0.39) P2RX7IL1BCHRM1PDE6DPDE6A
SCHEMBL23830304 0.79 PDE6D (0.53) P2RX7IL1BCHRM1PDE6DPDE6A
SCHEMBL23830334 0.79 PDE6D (0.38) P2RX7IL1BPDE6DPDE6APDE6G

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 P2RX7 3325/4885IL1B 1733/4885CHRM1 1327/4885

“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.