SCHEMBL5139048

SCHEMBL5139048

Brc1ccc(SCC2CCCO2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.59
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CRBN Q96SW2 1/20 0.43
▸ HPGD P15428 3/20 0.43
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAOA P21397 1/20 0.39

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
SCHEMBL4157086 0.83 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1HPGDTSHR
SCHEMBL29418063 0.77 DRD4 (0.38) ALDH1A1MAPTNPSR1CRBNHPGD
SCHEMBL1939047 0.72 MEN1 (0.45) ALDH1A1MAPTNPSR1CRBNRAB9A
SCHEMBL2054713 0.72 CRBN (0.51) ALDH1A1MAPTCRBNRAB9AL3MBTL1
SCHEMBL26571906 0.72 ALDH1A1 (0.45) ALDH1A1HPGDTAAR1RAB9ANPC1
SCHEMBL23330139 0.70 CRBN (0.43) ALDH1A1MAPTCRBNRAB9AL3MBTL1
SCHEMBL1928209 0.70 RAB9A (0.54) ALDH1A1MAPTHPGDTSHRRAB9A
SCHEMBL1402675 0.69 DRD4 (0.36) ALDH1A1CRBNTSHR
SCHEMBL15371049 0.69 ALDH1A1 (0.42) ALDH1A1MAPTHPGDTAAR1RAB9A
SCHEMBL811405 0.68 MEN1 (0.42) ALDH1A1MAPTCRBNHPGDTSHR

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
US-7465728-B2 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with CDK inhibitory activity ASTRAZENECA AB (SE) 2008-12-16 — — US disclosed
US-20050131000-A1 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity ASTRAZENECA AB (SE) 2005-06-16 — — US disclosed
EP-1487823-A1 DERIVATIVES OF 4-(IMIDAZOL-5-YL)-2-(4-SULFOANILINO)PYRIMIDINE WITH CDK INHIBITORY ACTIVITY AstraZeneca AB (SE) 2004-12-22 — — EP disclosed
WO-2003076436-A1 DERIVATIVES OF 4- (IMIDAZOL-5-YL)-2-(4-SULFOANILINO) PYRIMIDINE WITH CDK INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 — — 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-20050131000-A1 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity CCNI, CDK2, CDK1 ALDH1A1 1079/4885MAPT 4492/4885NPSR1 3658/4885

“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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