SCHEMBL6317551

SCHEMBL6317551

CS(=O)(=O)N(CCN)c1ccc(NC(=C2C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
IDO1 P14902 2/20 0.35
TDO2 P48775 1/20 0.35
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDR P35968 1/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
SERPINE1 P05121 1/20 0.33
GAA P10253 3/20 0.33
LMNA P02545 1/20 0.33
GFER P55789 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALK Q9UM73 1/20 0.33
PER2 O15055 1/20 0.32

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
SCHEMBL6317547 1.00 KMT2A (0.35) KMT2ATSHRCA12CA1CA2
SCHEMBL6325477 0.94 CA12 (0.36) KMT2ATSHRCA12CA1CA2
SCHEMBL6325475 0.94 CA12 (0.36) KMT2ATSHRCA12CA1CA2
SCHEMBL436206 0.90 KMT2A (0.35) KMT2ATSHRCA12CA1CA2
SCHEMBL436205 0.90 KMT2A (0.35) KMT2ATSHRCA12CA1CA2
SCHEMBL6327156 0.90 KMT2A (0.35) KMT2ATSHRCA12CA1CA2
SCHEMBL6327153 0.90 KMT2A (0.35) KMT2ATSHRCA12CA1CA2
SCHEMBL6322586 0.89 IDO1 (0.36) KMT2ATSHRCA12CA1CA2
SCHEMBL7020142 0.89 SMN1; SMN2 (0.38) KMT2ATSHRCA12CA1CA2
SCHEMBL7020136 0.89 SMN1; SMN2 (0.38) KMT2ATSHRCA12CA1CA2

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
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 1247/4885CA12 4558/4885

“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.