SCHEMBL6325751

SCHEMBL6325751

COc1ccc(NC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.56
RAB9A P51151 5/20 0.56
MAPT P10636 4/20 0.56
NPC1 O15118 3/20 0.56
KDM4E B2RXH2 1/20 0.56
THRB P10828 1/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KMT2A Q03164 2/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47

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
SCHEMBL5510420 0.79 GAA (0.58) GAARAB9AMAPTNPC1KDM4E
SCHEMBL9095755 0.78 GAA (0.52) GAARAB9AMAPTNPC1KDM4E
SCHEMBL30874281 0.77 ALDH1A1 (0.50) GAARAB9AMAPTNPC1KDM4E
Hydrochloric Acid SCHEMBL5132964 0.77 GAA (0.50) GAARAB9AMAPTNPC1KDM4E
SCHEMBL12374642 0.76 GAA (0.54) GAARAB9AMAPTNPC1KDM4E
SCHEMBL11348890 0.73 RAB9A (0.64) GAARAB9AMAPTNPC1KDM4E
SCHEMBL2722652 0.73 MAPT (0.50) RAB9AMAPTNPC1NPSR1TDP1
SCHEMBL5294889 0.72 GAA (0.67) GAARAB9AMAPTNPC1KDM4E
SCHEMBL10994568 0.72 GAA (0.68) GAARAB9AMAPTNPC1KDM4E
SCHEMBL19042407 0.72 RAB9A (0.50) GAARAB9AMAPTNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3978049-A Process for the preparation of hydrazine compounds PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-08-31 US claimed
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
US-3978049-A Process for the preparation of hydrazine compounds PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-08-31 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 GAA 3750/4885RAB9A 2092/4885MAPT 3817/4885

“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.