SCHEMBL6320711

SCHEMBL6320711

Nc1cccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.46
DDX3X O00571 2/20 0.42
ALDH1A1 P00352 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KDR P35968 2/20 0.39
PTGS1 P23219 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL6320960 1.00 PDPK1 (0.46) PDPK1DDX3XALDH1A1HDAC3HDAC4
SCHEMBL7087980 0.92 PDPK1 (0.50) PDPK1DDX3XALDH1A1HDAC3HDAC4
SCHEMBL7087977 0.92 PDPK1 (0.50) PDPK1DDX3XALDH1A1HDAC3HDAC4
SCHEMBL6320376 0.87 KDR (0.48) ALDH1A1TDP1KDRMAPTKDM4E
SCHEMBL6320369 0.87 KDR (0.48) ALDH1A1TDP1KDRMAPTKDM4E
SCHEMBL6318906 0.87 PDPK1 (0.39) PDPK1TDP1KDRMEN1KMT2A
SCHEMBL6319465 0.87 PARP1 (0.45) PDPK1KDRMEN1KMT2AIDO1
SCHEMBL6321984 0.87 PARP1 (0.45) PDPK1KDRMEN1KMT2AIDO1
SCHEMBL6319473 0.86 GSK3B (0.47) ALDH1A1TDP1MAPTMEN1LMNA
SCHEMBL6319477 0.86 GSK3B (0.47) ALDH1A1TDP1MAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171185-A1 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD., A JAPANESE CORPORATION 2005-08-04 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
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 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 (2 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-20050171185-A1 Indole derivatives PDE5A, IGFBP5, HTR5A PDPK1 533/4885DDX3X 2878/4885ALDH1A1 293/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 PDPK1 120/4885DDX3X 1913/4885ALDH1A1 1810/4885

“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.