SCHEMBL5789112

SCHEMBL5789112

COc1cc2c(cc1OC)C(=C(Nc1ccccc1)c1ccccc1)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.55
BRD4 O60885 3/20 0.43
BRD2 P25440 2/20 0.43
EGFR P00533 1/20 0.43
TLK2 Q86UE8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.40
CHEK1 O14757 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RCE1 Q9Y256 1/20 0.39
GSK3B P49841 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5789109 1.00 RET (0.55) RETBRD4BRD2EGFRTLK2
SCHEMBL5785525 0.93 RET (0.52) RETBRD4BRD2EGFRTLK2
SCHEMBL5785488 0.93 RET (0.54) RETBRD4BRD2EGFRMEN1
SCHEMBL5785496 0.93 RET (0.54) RETBRD4BRD2EGFRMEN1
SCHEMBL5785531 0.93 RET (0.52) RETBRD4BRD2EGFRTLK2
SCHEMBL5784002 0.93 RET (0.52) RETBRD4BRD2EGFRTLK2
SCHEMBL6330841 0.93 RET (0.52) RETBRD4BRD2EGFRTLK2
SCHEMBL6330717 0.92 RET (0.51) RETBRD4BRD2EGFRTLK2
SCHEMBL6330535 0.92 RET (0.51) RETBRD4BRD2EGFRTLK2
SCHEMBL7477297 0.92 RET (0.51) RETBRD4BRD2EGFRTLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212318-B1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2006-01-25 EP disclosed
US-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-13 US disclosed
US-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 US 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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments CCNE1, CDK1, CCNI RET 154/4885BRD4 439/4885BRD2 1390/4885

“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.