SCHEMBL4071289

SCHEMBL4071289

O=C(O)c1ccc(-c2cc3c(Cl)ncnc3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.58
CSF1R P07333 5/20 0.52
HDAC3 O15379 4/20 0.48
HDAC4 P56524 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
KDR P35968 3/20 0.48
ERBB2 P04626 2/20 0.48
KIT P10721 5/20 0.46
RIPK1 Q13546 1/20 0.42

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
SCHEMBL4901729 0.85 CSF1R (0.55) EGFRCSF1RHDAC3HDAC4HDAC1
SCHEMBL27414010 0.82 EGFR (0.52) EGFRCSF1RKIT
SCHEMBL1899495 0.82 EGFR (0.55) EGFRCSF1RKIT
SCHEMBL4765653 0.81 CSF1R (0.49) EGFRCSF1RHDAC3HDAC4HDAC1
SCHEMBL31565345 0.81 KIT (0.61) EGFRCSF1RKITRIPK1
SCHEMBL22195118 0.81 KIT (0.61) EGFRCSF1RKITRIPK1
SCHEMBL16546224 0.80 EGFR (0.51) EGFRCSF1RKDRKIT
SCHEMBL20493380 0.80 KIT (0.70) EGFRKIT
SCHEMBL6259087 0.80 EGFR (0.53) EGFRCSF1RKIT
SCHEMBL21408892 0.79 KIT (0.47) EGFRCSF1RKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838898-A1 SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF Advinus Therapeutics Limited (IN) 2015-02-25 EP disclosed
WO-2013157021-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2013-10-24 WO disclosed
WO-2013157021-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2013-10-24 WO disclosed
WO-2013157022-A1 SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2013-10-24 WO disclosed
US-7625894-B2 Pyrrolo[2,3-d]Pyrimidines as Protein Tyrosine Kinase Inhibitors NOVARTIS AG (CH) 2009-12-01 US disclosed
US-7625894-B2 Pyrrolo[2,3-d]Pyrimidines as Protein Tyrosine Kinase Inhibitors NOVARTIS AG (CH) 2009-12-01 US disclosed
US-7625894-B2 Pyrrolo[2,3-d]Pyrimidines as Protein Tyrosine Kinase Inhibitors NOVARTIS AG (CH) 2009-12-01 US disclosed
EP-1718651-B1 7H-PYRROLOPYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2009-04-22 EP disclosed
EP-1718651-B1 7H-PYRROLOPYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2009-04-22 EP disclosed
US-20070135460-A1 7H-pyrrolopyrimidine derivatives CARAVATTI GIORGIO 2007-06-14 US disclosed
US-20070135460-A1 7H-pyrrolopyrimidine derivatives CARAVATTI GIORGIO 2007-06-14 US disclosed
US-20070135460-A1 7H-pyrrolopyrimidine derivatives CARAVATTI GIORGIO 2007-06-14 US disclosed
CN-1922184-A 7H-pyrrolopyrimidine derivatives NOVARTIS AG (CH) 2007-02-28 CN disclosed
EP-1718651-A2 7H-PYRROLOPYRIMIDINE DERIVATIVES Novartis AG (CH) 2006-11-08 EP disclosed
WO-2005077951-A2 7H-PYRROLOPYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2005-08-25 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-20070135460-A1 7H-pyrrolopyrimidine derivatives DPYD, TYMP, DHPS EGFR 2803/4885CSF1R 3432/4885HDAC3 2390/4885

“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.