SCHEMBL21297115

SCHEMBL21297115

CC(C)(C)Cn1nnc2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 8/20 0.39
▸ FAAH O00519 2/20 0.39
▸ MGLL Q99685 2/20 0.39
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36
▸ TUBB3 Q13509 1/20 0.36
▸ TUBB2A Q13885 1/20 0.36
▸ TUBB8 Q3ZCM7 1/20 0.36
▸ TUBA3E Q6PEY2 1/20 0.36
▸ TUBA1A Q71U36 1/20 0.36
▸ TUBA1C Q9BQE3 1/20 0.36
▸ TUBB6 Q9BUF5 1/20 0.36
▸ TUBB2B Q9BVA1 1/20 0.36
▸ TUBB1 Q9H4B7 1/20 0.36
▸ MET P08581 1/20 0.36
▸ BRD4 O60885 1/20 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
SCHEMBL12672863 0.81 SLC9A1 (0.55) SLC9A1FAAHMGLLTUBB4ATUBB
SCHEMBL13173782 0.77 KDM1A (0.44) SLC9A1FAAHMGLLTUBB4ATUBB
SCHEMBL13963730 0.74 FAAH (0.45) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL16526236 0.74 SLC9A1 (0.60) SLC9A1FAAHMGLLALDH1A1CYP1A2
SCHEMBL12775615 0.74 FAAH (0.41) SLC9A1FAAHMGLLTUBB4ATUBB
SCHEMBL11955094 0.74 SLC9A1 (0.65) SLC9A1GAAPOLBGRM2ATM
SCHEMBL1667917 0.72 EGLN3 (0.45) FAAHMGLLALDH1A1GAAPOLB
SCHEMBL13111955 0.71 MEN1 (0.48) —
SCHEMBL16522412 0.71 SLC9A1 (0.43) SLC9A1FAAHMGLL
SCHEMBL14200027 0.71 FAAH (0.38) SLC9A1FAAHMGLLTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391182-B2 Bifunctional cytotoxic agents PFIZER INC. (US) 2019-08-27 — — 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 (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-10391182-B2 Bifunctional cytotoxic agents PAICS, CYTH3, CYTH2 SLC9A1 4321/4885FAAH 2363/4885MGLL 3768/4885

“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.

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