SCHEMBL6767033

SCHEMBL6767033

CCCC[Sn](CCCC)(CCCC)c1nccn1C(CC)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL6766727 0.72
SCHEMBL201430 0.71 KMT2A (0.43) ALDH1A1POLBKMT2ATLR8
SCHEMBL6767037 0.68 ALDH1A1 (0.45) ALDH1A1POLBKMT2ATLR8
SCHEMBL7972375 0.68 KDM4E (0.33) ALDH1A1POLBKMT2ATLR8
SCHEMBL18038297 0.66 KMT2A (0.42) ALDH1A1POLBKMT2ATLR8
SCHEMBL18038278 0.65 ALDH1A1 (0.32) ALDH1A1POLBKMT2ATLR8
SCHEMBL3065697 0.64 ALDH1A1 (0.40) ALDH1A1POLBKMT2ATLR8
SCHEMBL3171671 0.63 CYP1A2 (0.32) ALDH1A1POLBKMT2A
SCHEMBL109668 0.62 CYP2D6 (0.34) ALDH1A1POLBKMT2A
SCHEMBL18007731 0.61 KMT2A (0.35) ALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK ALDH1A1 4024/4885POLB 1930/4885KMT2A 1161/4885

“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.