SCHEMBL5669616

SCHEMBL5669616

O=C1Nc2cc(Br)ccc2/C1=N/Nc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ GAA P10253 4/20 0.47
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA2 P00918 1/20 0.41
▸ POLB P06746 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PIM1 P11309 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SRD5A1 P18405 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ HSP90AA1 P07900 2/20 0.38

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
SCHEMBL5669620 1.00 MEN1 (0.47) MEN1KMT2AGAACA12CA1
SCHEMBL7271653 0.90 MEN1 (0.55) MEN1KMT2AGAACA12CA1
SCHEMBL6936026 0.90 MEN1 (0.55) MEN1KMT2AGAACA12CA1
SCHEMBL31492066 0.86 LRRK2 (0.47) MEN1KMT2AGAAPOLBL3MBTL1
SCHEMBL20251030 0.84 AGTR1 (0.52) MEN1KMT2AGAACA12CA1
SCHEMBL7263628 0.82 KDR (0.53) MEN1KMT2AGAACA12CA1
SCHEMBL6941860 0.82 KDR (0.53) MEN1KMT2AGAACA12CA1
SCHEMBL5427496 0.80 CA1 (0.54) CA12CA1CA9CA2MAPT
SCHEMBL5427493 0.80 CA1 (0.54) CA12CA1CA9CA2MAPT
SCHEMBL7269531 0.78 MEN1 (0.44) MEN1KMT2AGAACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583827-A4 CRYSTALS AND STRUCTURES OF SPLEEN TYROSINE KINASE SYKKD STRUCTURAL GENOMIX INC (US) 2006-07-12 — — EP disclosed
EP-1631876-A2 CRYTALS AND STRUCTURES OF C-ABL TRYOSINE KNASE DOMAIN SGX Pharmaceuticals, Inc. (US) 2006-03-08 — — EP disclosed
EP-1583827-A2 CRYSTALS AND STRUCTURES OF SPLEEN TYROSINE KINASE SYKKD Structural Genomix, Inc. (US) 2005-10-12 — — EP disclosed
US-20050107298-A1 crystalline forms of polypeptides that correspond to the kinase domain of c-Abl tyrosine kinase; useful, for example, for solving the crystal and solution structures of related and unrelated proteins, for screening for, identifying, and/or designing protein analogues and modified proteins SGX PHARMACEUTICALS, INC. 2005-05-19 — — US disclosed
US-20040253178-A1 Crystals and structures of spleen tyrosine kinase SYKKD SGX PHARMACEUTICALS, INC. 2004-12-16 — — US disclosed
WO-2004107114-A2 CRYTALS AND STRUCTURES OF C-ABL TRYOSINE KNASE DOMAIN SGX PHARMACEUTICALS, INC. (US) 2004-12-09 — — WO disclosed
WO-2004058177-A2 CRYSTALS AND STRUCTURES OF SPLEEN TYROSINE KINASE SYKKD STRUCTURAL GENOMIX, INC. (US) 2004-07-15 — — 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-20050107298-A1 crystalline forms of polypeptides that correspond to the kinase domain of c-Abl tyrosine kinase; useful, for example, for solving the crystal and solution structures of related and unrelated proteins, for screening for, identifying, and/or designing protein analogues and modified proteins ABL2, ABL1, SRC MEN1 2812/4885KMT2A 1569/4885GAA 1639/4885

“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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