SCHEMBL4598254

SCHEMBL4598254

Cc1nc(Nc2ccc(Br)cc2)ncc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 2/20 0.48
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ AURKA O14965 4/20 0.46
▸ CDK1 P06493 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ STK17B O94768 1/20 0.42
▸ CA2 P00918 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ CDK4 P11802 2/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL4598000 0.76 MAPT (0.49) STK17AMAPTALDH1A1KMT2AMEN1
SCHEMBL27747188 0.75 MAPT (0.53) STK17AMAPTALDH1A1KMT2AMEN1
SCHEMBL4595936 0.73 MAPT (0.78) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL1734421 0.68 CDK1 (0.43) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL10998504 0.68 RAB9A (0.65) STK17AMAPTALDH1A1KMT2AMEN1
SCHEMBL18181689 0.68 AURKA (0.46) STK17AAURKA
SCHEMBL25495161 0.67 MAPT (0.49) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL2120597 0.66 KDM4E (0.48) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL27610222 0.66 ROCK1 (0.53) STK17AMAPTALDH1A1KMT2AMEN1
SCHEMBL4713441 0.66 AURKA (0.51) STK17AAURKACDK1KDRCDK4

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 STK17A 2038/4885MAPT 3432/4885ALDH1A1 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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