SCHEMBL3700544

SCHEMBL3700544

CC(C)(C)OC(=O)Nc1nn2cccnc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 5/20 0.42
▸ KCNQ2 O43526 5/20 0.42
▸ METAP1 P53582 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ IRAK4 Q9NWZ3 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ BCL2 P10415 1/20 0.37
▸ BECN1 Q14457 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL6126409 0.92 HPGD (0.38) KCNQ3KCNQ2METAP1RORCIRAK4
SCHEMBL17974696 0.87 KCNQ3 (0.43) KCNQ3KCNQ2METAP1RORCIRAK4
SCHEMBL17468705 0.85 KCNQ3 (0.42) KCNQ3KCNQ2METAP1RORCIRAK4
SCHEMBL943447 0.84 KCNQ3 (0.41) KCNQ3KCNQ2METAP1RORCIRAK4
SCHEMBL16718830 0.79 HPGD (0.43) KCNQ3KCNQ2RORCHPGDBRD4
SCHEMBL22857931 0.73 METAP1 (0.38) METAP1IRAK4HPGDATRBRD9
SCHEMBL17468704 0.73 KCNQ3 (0.58) KCNQ3KCNQ2RORC
SCHEMBL20119921 0.73 IRAK4 (0.39) IRAK4
SCHEMBL17468697 0.73 APOBEC3A (0.47) METAP1RORCIRAK4NPC1RAB9A
SCHEMBL24515860 0.73 HPGD (0.38) KCNQ3KCNQ2METAP1RORCIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 — — US disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 — — 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 KCNQ3 4/4885KCNQ2 2/4885METAP1 4676/4885

“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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