SCHEMBL6318972

SCHEMBL6318972

CC(=O)NCCN(c1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 5/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 1/20 0.35
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
KDR P35968 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6320182 1.00 KMT2A (0.37) KMT2ATSHRMEN1MTNR1AMTNR1B
SCHEMBL6327156 0.90 KMT2A (0.35) KMT2ATSHRMEN1PER2CRY1
SCHEMBL6327153 0.90 KMT2A (0.35) KMT2ATSHRMEN1PER2CRY1
SCHEMBL6321650 0.88 IDO1 (0.35) KMT2ATSHRMEN1IDO1TDO2
SCHEMBL6321653 0.88 IDO1 (0.35) KMT2ATSHRMEN1IDO1TDO2
SCHEMBL6325734 0.88 KMT2A (0.37) KMT2ATSHRMEN1PER2CRY1
SCHEMBL6325738 0.88 KMT2A (0.37) KMT2ATSHRMEN1PER2CRY1
SCHEMBL436206 0.87 KMT2A (0.35) KMT2ATSHRMEN1IDO1TDO2
SCHEMBL436205 0.87 KMT2A (0.35) KMT2ATSHRMEN1IDO1TDO2
SCHEMBL6317547 0.87 KMT2A (0.35) KMT2ATSHRMEN1PER2CRY1

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-20050042551-A1 Method of manufacturing organic electroluminescent light-emitting device WINTEK CORPORATION (TW) 2005-02-24 US disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 KMT2A 750/4885TSHR 1247/4885MEN1 3345/4885

“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.