SCHEMBL22189751

SCHEMBL22189751

Brc1nc2cccnn2c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.48
AKT2 P31751 1/20 0.48
PDE4A P27815 15/20 0.39
PDE4B Q07343 15/20 0.39
PDE4C Q08493 15/20 0.39
PDE4D Q08499 15/20 0.39
RIPK3 Q9Y572 1/20 0.38
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
NUDT1 P36639 1/20 0.36

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
SCHEMBL1746576 0.88 MKNK1 (0.49) AKT1AKT2PDE4APDE4BPDE4C
SCHEMBL3355854 0.81 MKNK1 (0.39) AKT1AKT2PDE4APDE4BPDE4C
SCHEMBL456971 0.76 MKNK1 (0.37) AKT1AKT2PDE4APDE4BPDE4C
SCHEMBL22189658 0.75 PDE4D (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL1745964 0.73 PDE4A (0.48) AKT1AKT2PDE4APDE4BPDE4C
SCHEMBL31704447 0.70 KDM4E (0.55) AKT1AKT2
SCHEMBL361368 0.68 AKT1 (0.49) AKT1AKT2
SCHEMBL4710579 0.68 MKNK1 (0.49) PDE4APDE4BPDE4CPDE4DRIPK3
SCHEMBL2674833 0.67 ALDH1A1 (0.41) AKT1AKT2PDE4A
SCHEMBL2068562 0.67 PDE4B (0.35) PDE4APDE4BPDE4CPDE4D

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-11370769-B2 TRPC5 inhibitors and methods of using same BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2022-06-28 US disclosed
US-20200216411-A1 TRPC5 INHIBITORS AND METHODS OF USING SAME THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2020-07-09 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 (2 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-20200216411-A1 TRPC5 INHIBITORS AND METHODS OF USING SAME TRPC5, TRPC1, TRPC7 AKT1 2848/4885AKT2 2508/4885PDE4A 1673/4885
US-11370769-B2 TRPC5 inhibitors and methods of using same TRPC5, TRPC1, TRPC7 AKT1 2848/4885AKT2 2508/4885PDE4A 1673/4885

“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.