SCHEMBL6807502

SCHEMBL6807502

CCC(=O)Nc1cccc(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.69
KDR P35968 7/20 0.68
ERBB2 P04626 6/20 0.68
HDAC3 O15379 4/20 0.66
HDAC4 P56524 4/20 0.66
HDAC1 Q13547 4/20 0.66
HDAC7 Q8WUI4 4/20 0.66
HDAC2 Q92769 4/20 0.66
HDAC10 Q969S8 4/20 0.66
HDAC11 Q96DB2 4/20 0.66
HDAC8 Q9BY41 4/20 0.66
HDAC6 Q9UBN7 4/20 0.66
HDAC9 Q9UKV0 4/20 0.66
HDAC5 Q9UQL6 4/20 0.66
CSF1R P07333 1/20 0.61

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
SCHEMBL6807507 1.00 EGFR (0.69) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL27489469 0.91 KDR (0.72) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL27489470 0.91 KDR (0.72) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL7499449 0.91 KDR (0.81) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL7499455 0.91 KDR (0.81) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL7497282 0.90 EGFR (0.82) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL7497288 0.90 EGFR (0.82) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL8327218 0.89 EGFR (0.67) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL4767497 0.89 EGFR (0.67) EGFRKDRERBB2HDAC3HDAC4
SCHEMBL7498147 0.89 EGFR (0.71) EGFRKDRERBB2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043403-A1 Use of transcription or translation products of genes the expression levels of which correlate with the biological activity of an EGFR tyrosine kinase inhibitor FURST PETER (CH) 2004-03-04 US claimed
EP-1346062-A1 PROCESSES FOR DETERMINING THE BIOLOGICAL ACTIVITY OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2003-09-24 EP claimed
WO-2002050306-A1 PROCESSES FOR DETERMINING THE BIOLOGICAL ACTIVITY OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2002-06-27 WO claimed
EP-0836605-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2002-02-06 EP claimed
EP-0836605-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-04-22 EP claimed
WO-1997002266-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1997-01-23 WO claimed
US-20040043403-A1 Use of transcription or translation products of genes the expression levels of which correlate with the biological activity of an EGFR tyrosine kinase inhibitor FURST PETER (CH) 2004-03-04 US disclosed
EP-1346062-A1 PROCESSES FOR DETERMINING THE BIOLOGICAL ACTIVITY OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2003-09-24 EP disclosed
WO-2002050306-A1 PROCESSES FOR DETERMINING THE BIOLOGICAL ACTIVITY OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2002-06-27 WO disclosed
EP-0836605-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2002-02-06 EP disclosed
US-6140332-A Pyrrolopyrimidines and processes for the preparation thereof NOVARTIS AG (CH) 2000-10-31 US disclosed
EP-0836605-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-04-22 EP disclosed
WO-1997002266-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1997-01-23 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-20040043403-A1 Use of transcription or translation products of genes the expression levels of which correlate with the biological activity of an EGFR tyrosine kinase inhibitor EGFR, ETF1, TCEA1 EGFR 1/4885KDR 986/4885ERBB2 4/4885

“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.