SCHEMBL4598000

SCHEMBL4598000

Cc1nc(Nc2ccc(Br)cc2)ncc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ STK17A Q9UEE5 2/20 0.47
▸ CDK4 P11802 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ STK17B O94768 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ PIK3CG P48736 2/20 0.40

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
SCHEMBL4596759 0.81 SYK (0.55) MAPTMEN1KMT2ANPC1AURKA
SCHEMBL27747188 0.78 MAPT (0.53) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL15332393 0.77 RAB9A (0.47) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL4598254 0.76 STK17A (0.48) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL4597884 0.74 SYK (0.47) MAPTNPC1
SCHEMBL22719004 0.74 KDM4E (0.44) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL4595936 0.73 MAPT (0.78) MAPTMEN1ALDH1A1KMT2ARAB9A
SCHEMBL3651535 0.70 RAB9A (0.44) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL25495161 0.69 MAPT (0.49) MAPTMEN1ALDH1A1MAPK1KMT2A
SCHEMBL27610222 0.68 ROCK1 (0.53) MAPTMEN1ALDH1A1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 — — CN disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 — — EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 — — US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 — — 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 MAPT 3432/4885MEN1 4855/4885ALDH1A1 3484/4885

“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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