SCHEMBL14614232

SCHEMBL14614232

CCn1nc(C(C)(C)C)c2cncnc21

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.38
ABL1 P00519 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
SCHEMBL29582154 0.78 PI4KA (0.36)
SCHEMBL14584045 0.77 SRC (0.33) ABL1BCR
SCHEMBL12299464 0.74 L3MBTL1 (0.43)
SCHEMBL10266747 0.67 PIK3CD (0.35) XDHABL1
SCHEMBL14627435 0.65 SSTR4 (0.50)
SCHEMBL2244617 0.63 XDH (0.46) XDHABL1BCR
SCHEMBL21137627 0.63 SLC9A1 (0.43) XDH
SCHEMBL10050009 0.62 DGAT1 (0.33)
SCHEMBL21719169 0.61 DGAT1 (0.34)
SCHEMBL11922157 0.61 NTRK1 (0.37)

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-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 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-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR XDH 2132/4885ABL1 4876/4885BCR 3914/4885
US-20070043057-A1 Lonidamine analogs LONP1, LPXN, QDPR XDH 2132/4885ABL1 4876/4885BCR 3914/4885

“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.