SCHEMBL23830333

SCHEMBL23830333

Cc1cnc2c(C(=O)NCC3(O)CC3)cn(Cc3cc(F)c(C)nc3C)c2n1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.35
CHRM1 P11229 1/20 0.35
IL1B P01584 4/20 0.34
KMT2A Q03164 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
SCHEMBL23830271 0.91 PDE6D (0.37) P2RX7CHRM1IL1B
SCHEMBL23830305 0.91 P2RX7 (0.35) P2RX7CHRM1IL1B
SCHEMBL23830284 0.84 PDE6D (0.36) P2RX7CHRM1IL1B
SCHEMBL23830343 0.83 CHRM1 (0.38) P2RX7CHRM1IL1B
SCHEMBL23830334 0.82 PDE6D (0.38) P2RX7IL1B
SCHEMBL23830393 0.82 RORC (0.34) P2RX7
SCHEMBL23830364 0.79 P2RX7 (0.37) P2RX7CHRM1IL1BKMT2A
SCHEMBL23830403 0.79 SCN9A (0.38) P2RX7IL1B
SCHEMBL23830399 0.78 P2RX7 (0.38) P2RX7CHRM1IL1B
SCHEMBL23830275 0.76 PDE6D (0.40) P2RX7CHRM1IL1B

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 3325/4885CHRM1 1327/4885IL1B 1733/4885

“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.