SCHEMBL2967511

SCHEMBL2967511

COc1ccccc1Cn1ccc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
DBH P09172 1/20 0.52
CDK4 P11802 4/20 0.50
CCND1 P24385 4/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HTR6 P50406 1/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL3432240 0.80 SYK (0.49) ALDH1A1HTTTSHR
SCHEMBL6086013 0.79 SERPINE1 (0.54) ALDH1A1USP2MAPK1LMNAHTT
SCHEMBL30577034 0.78 CDK4 (0.55) CDK4CCND1HTR6KMT2AHTR2A
SCHEMBL6086178 0.78 CDK4 (0.55) CDK4CCND1HTR6KMT2AHTR2A
SCHEMBL28892700 0.78 HTR6 (0.46) ALDH1A1CDK4CCND1USP2MAPK1
SCHEMBL11975801 0.77 HDAC8 (0.52) ALDH1A1LMNATSHRKDM4EGAA
SCHEMBL1609252 0.76 HDAC6 (0.65) HTTTSHR
SCHEMBL6085329 0.76 ALDH1A1 (0.51) ALDH1A1LMNAHTTTSHRL3MBTL1
SCHEMBL30914586 0.75 HTR6 (0.66) ALDH1A1CDK4CCND1LMNAHTT
SCHEMBL6086778 0.75 HTR6 (0.66) ALDH1A1CDK4CCND1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973917-B1 PROTEIN KINASE INHIBITORS ABBVIE INC (US) 2015-06-10 EP disclosed
CN-1854128-B Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY 2012-05-16 CN disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 US disclosed
EP-1973917-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2008-10-01 EP disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 US disclosed
WO-2007079164-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-12 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-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 ALDH1A1 4453/4885DBH 3387/4885CDK4 204/4885

“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.