SCHEMBL3300218

SCHEMBL3300218

Oc1ccc(-c2cc(I)cn3ccnc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
XDH P47989 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
CCNE2 O96020 1/20 0.43
SPTLC1 O15269 1/20 0.38
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
USP7 Q93009 3/20 0.34
RPS6KA3 P51812 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TNKS O95271 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
DYRK1A Q13627 3/20 0.33
CLK1 P49759 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
ABL1 P00519 1/20 0.32
ABCB1 P08183 1/20 0.32
BCR P11274 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
SCHEMBL2898846 0.78 XDH (0.37) CDK2XDHSLC22A12PIK3R1PIK3CA
SCHEMBL2900371 0.74 CCNE2 (0.47) CCNE1CDK2XDHSLC22A12CCNE2
SCHEMBL3025899 0.72 ALDH1A3 (0.39) XDHSLC22A12SPTLC1L3MBTL1TNKS
SCHEMBL1369156 0.70 L3MBTL1 (0.51) CDK2XDHSLC22A12SPTLC1L3MBTL1
SCHEMBL15747098 0.68 L3MBTL1 (0.49) L3MBTL1TNKS
SCHEMBL26254580 0.68 L3MBTL1 (0.62) L3MBTL1TNKS
SCHEMBL28020112 0.67 XDH (0.42) XDHSLC22A12L3MBTL1KDM4E
SCHEMBL454081 0.66 SPTLC1 (0.53) XDHSLC22A12SPTLC1L3MBTL1TNKS
SCHEMBL5351052 0.66 SPTLC1 (0.50) XDHSLC22A12SPTLC1KDM4ENPC1
SCHEMBL20125121 0.66 ACKR3 (0.43) CCNE1CDK2XDHSLC22A12SPTLC1

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-8277777-B2 Compound having affinity for amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2012-10-02 US disclosed
US-20100092387-A1 Novel Compound Having Affinity For Amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-04-15 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-20100092387-A1 Novel Compound Having Affinity For Amyloid APP, SLC43A1, APBA1 CCNE1 1785/4885CDK2 4399/4885XDH 2147/4885

“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.