SCHEMBL6188570

SCHEMBL6188570

CCCCOc1c(Br)cnc2c1cnn2Cc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PDE1B Q01064 4/20 0.45
PDE1A P54750 3/20 0.45
PDE1C Q14123 3/20 0.45
NPBWR1 P48145 6/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 1/20 0.44
MCHR1 Q99705 1/20 0.41
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
MEN1 O00255 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
SCHEMBL5262559 0.84 MAPT (0.48) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL4739369 0.83 LMNA (0.52) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL3722773 0.82 LMNA (0.51) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL6188594 0.80 ALDH1A1 (0.45) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL5262267 0.80 MAPT (0.43) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL8147788 0.78 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL25237607 0.78 LMNA (0.52) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL5260494 0.77 CCNB2 (0.45) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL31140713 0.75 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL25242471 0.75 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2HPGD

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
EP-1278749-B1 USE OF 5-THIO-, SULFINYL- AND SULFONYLPYRAZOLO 3,4-b]-PYRIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-01-26 EP disclosed
EP-1278749-A1 USE OF 5-THIO-, SULFINYL- AND SULFONYLPYRAZOLO 3,4-b]-PYRIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-01-29 EP disclosed
US-6448264-B2 ANTIPROLIFERATIVE, -CARCINOGENIC AGENTS, ANTIINFLAMMATORY AND -ARTHRITIS AGENTS; NEURODEGENERATIVE DISEASES, E.G., ALZHEIMER'S DISEASE; CARDIOVASCULAR DISORDERS; VIRICIDES; FUNGICIDES BRISTOL-MYERS SQUIBB COMPANY 2002-09-10 US disclosed
US-20020002178-A1 Use of 5-thio-, sulfinyl- and sulfonylpyrazolo[3,4-b]- pyridines as cyclin dependent kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-01-03 US disclosed
WO-2001081348-A1 USE OF 5-THIO-, SULFINYL- AND SULFONYLPYRAZOLO[3,4-b]-PYRIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-01 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-20020002178-A1 Use of 5-thio-, sulfinyl- and sulfonylpyrazolo[3,4-b]- pyridines as cyclin dependent kinase inhibitors CCNI, CDK2, CDK1 ALDH1A1 1832/4885MAPT 1537/4885LMNA 4187/4885

“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.